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4702-34-5,MFCD00799232
Catalog No.:AA003IEH
4702-34-5 | 3,4-Dihydro-1h-2-benzopyran-1-one
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250mg
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1g
95%
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$24.00   $17.00
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5g
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$60.00   $42.00
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10g
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25g
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100g
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  • Technical Information
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Technical Information
Catalog Number:
AA003IEH
Chemical Name:
3,4-Dihydro-1h-2-benzopyran-1-one
CAS Number:
4702-34-5
Molecular Formula:
C9H8O2
Molecular Weight:
148.1586
MDL Number:
MFCD00799232
IUPAC Name:
3,4-dihydroisochromen-1-one
InChI:
InChI=1S/C9H8O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-4H,5-6H2
InChI Key:
XVTAQSGZOGYIEY-UHFFFAOYSA-N
SMILES:
O=C1OCCc2c1cccc2
EC Number:
225-179-4
UNII:
994Y8F08R6
Properties
Computed Properties
 
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.052g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.161g/mol
Monoisotopic Mass:
148.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
isochroman-1-one 
4702-34-5 
3,4-dihydroisochromen-1-one 
XVTAQSGZOGYIEY-UHFFFAOYSA-N 
994Y8F08R6 
EINECS 225-179-4 
ACMC-209wpy 
AC1L2V7S 
SCHEMBL75814 
KSC492A3F 
SCHEMBL9549260 
CHEBI:23745 
3,4-Dihydro-1H-2-benzopyran-1-one 
CTK3J2032 
DTXSID60197006 
KS-000001TK 
ZINC5934784 
ANW-46676 
MFCD00799232 
3,4-Dihydro-1H-isochromen-1-one # 
AKOS005216261 
CM10132 
GS-3806 
Dihydroisocoumarin 
MB01461 
AJ-55259 
AK-84484 
CJ-12809 
SC-97478 
SY031574 
AB0025023 
RT-000049 
ST2413143 
4CH-008985 
3,4-dihydroisocoumarin 
FT-0655666 
I0953 
W6407 
MFCD00799232 (98%) 
M-8408 
99506-EP2301931A1 
A827129 
I14-2873 
Phyllodulcin 
Isochromanone 
1-isochromanone 
Isocoumarin, 3,4-dihydro- 
C9H8O2 
C9-H8-O2 
CID78429 
1H-2-Benzopyran-1-one, 3,4-dihydro- (9CI) 
480-46-6 
1-oxo-isochroman 
1H-2-Benzopyran-1-one, 3,4-dihydro- 
UNII-994Y8F08R6 
3,4-Dihydro-1H-isochromen-1-one 
Literature

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Title: Antiviral activity of Aloe hijazensis against some haemagglutinating viruses infection and its phytoconstituents.

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Title: Synthesis of (R)-mellein by a partially reducing iterative polyketide synthase.

Journal: Journal of the American Chemical Society 20120725

Title: Total synthesis of a noricumazole A library and evaluation of HCV inhibition.

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Title: Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.

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Title: Optimization of important early ADME(T) parameters of NADPH oxidase-4 inhibitor molecules.

Journal: Medicinal chemistry (Shariqah (United Arab Emirates)) 20120301

Title: Highly regio- and stereoselective ruthenium(II)-catalyzed direct ortho-alkenylation of aromatic and heteroaromatic aldehydes with activated alkenes under open atmosphere.

Journal: Organic letters 20120217

Title: Five new amicoumacins isolated from a marine-derived bacterium Bacillus subtilis.

Journal: Marine drugs 20120201

Title: An enantioselective approach toward 3,4-dihydroisocoumarin through the bromocyclization of styrene-type carboxylic acids.

Journal: The Journal of organic chemistry 20120120

Title: 4-[(Hy-droxy)(4-methyl-phen-yl)methyl-idene]isochroman-1,3-dione.

Journal: Acta crystallographica. Section E, Structure reports online 20120101

Title: Response of methicillin-resistant Staphylococcus aureus to amicoumacin A.

Journal: PloS one 20120101

Title: 4-[(4-Chloro-phen-yl)(hy-droxy)methyl-idene]isochromane-1,3-dione.

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Title: Sampling of cereals and cereal-based foods for the determination of ochratoxin A: an overview.

Journal: Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20110601

Title: Total synthesis of 8-deshydroxyajudazol B.

Journal: Organic letters 20110415

Title: Absolute stereochemistry of novel isochromanone derivatives from Leptosphaeria sp. KTC 727.

Journal: Bioscience, biotechnology, and biochemistry 20110101

Title: Protoplast mutation and genome shuffling induce the endophytic fungus Tubercularia sp. TF5 to produce new compounds.

Journal: Current microbiology 20101001

Title: Optimization of isochromanone based urotensin II receptor agonists.

Journal: Bioorganic & medicinal chemistry 20100701

Title: Chemical, physical and biological approaches to prevent ochratoxin induced toxicoses in humans and animals.

Journal: Toxins 20100701

Title: Effects of ochratoxin a on livestock production.

Journal: Toxins 20100701

Title: Evaluation of Brazilian plants on cancer chemoprevention targets in vitro.

Journal: Phytotherapy research : PTR 20100601

Title: Biotransformation of bioactive (-)-mellein by a marine isolate of bacterium Stappia sp.

Journal: Journal of microbiology and biotechnology 20100601

Title: Molecular mechanism of ochratoxin a transport in the kidney.

Journal: Toxins 20100601

Title: An unusual thioesterase promotes isochromanone ring formation in ajudazol biosynthesis.

Journal: Chembiochem : a European journal of chemical biology 20100517

Title: HPLC-based activity profiling for GABA(A) receptor modulators: a new dihydroisocoumarin from Haloxylon scoparium.

Journal: Journal of natural products 20100423

Title: Ochratoxin a: general overview and actual molecular status.

Journal: Toxins 20100401

Title: Total synthesis and cytotoxicity evaluation of all ochratoxin A stereoisomers.

Journal: Bioorganic & medicinal chemistry 20100101

Title: Comparative characterization of experimental and calculated lipophilicity and anti-tumour activity of isochromanone derivatives.

Journal: Current medicinal chemistry 20100101

Title: Synthesis and in vitro and in vivo evaluation of a series of dihydroisocoumarin derivatives conjugated with fatty acids, alcohols, and amines as potential anticancer agents.

Journal: Bioconjugate chemistry 20090901

Title: (2R)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methyl-sulfan-yl)butanoic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20090801

Title: 3-(1-Adamant-yl)-6-methyl-3-(3-methyl-benz-yl)isochroman-1-one.

Journal: Acta crystallographica. Section E, Structure reports online 20090601

Title: (±)-trans-6,7-Dimeth-oxy-1-oxo-3-(2-thien-yl)isochroman-4-carboxylic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20090601

Title: Stereoselective synthesis of novel highly substituted isochromanone and isoquinolinone-containing exocyclic tetrasubstituted alkenes.

Journal: The Journal of organic chemistry 20090306

Title: Secondary metabolites of Tubercularia sp. TF5, an endophytic fungal strain of Taxus mairei.

Journal: Natural product research 20090101

Title: Microsphaeropsisin A, a new sesquiterpenoid isolated from the mangrove endophytic fungus (No. DZ39).

Journal: Natural product research 20090101

Title: 2-(2-Fluoro-benzoyl-meth-yl)benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20081201

Title: 2-[(4-Chloro-benz-yl)carbonyl-meth-yl]benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20081101

Title: Original preparation of conjugates for antibody production against Amicoumacin-related anti-microbial agents.

Journal: Bioorganic & medicinal chemistry 20081015

Title: Minor compounds from the stem bark of Chinese mangrove associate Catunaregam spinosa.

Journal: Die Pharmazie 20080701

Title: Selective inhibition of aromatase by a dihydroisocoumarin from Xyris pterygoblephara.

Journal: Journal of natural products 20080601

Title: Aurocitrin and related polyketide metabolites from the wood-decay fungus Hypocrea sp. BCC 14122.

Journal: Journal of natural products 20080501

Title: Complex etiology, prophylaxis and hygiene control in mycotoxic nephropathies in farm animals and humans.

Journal: International journal of molecular sciences 20080401

Title: Dihydroisocoumarin from Xyris pterygoblephara active against dermatophyte fungi.

Journal: Phytochemistry 20080101

Title: Dihydroisocoumarin glucosides from stem bark of Caryocar glabrum.

Journal: Phytochemistry 20071001

Title: A formal synthesis of psymberin.

Journal: Organic letters 20070315

Title: Synthesis of psymberin analogues: probing a functional correlation with the pederin/mycalamide family of natural products.

Journal: Organic letters 20070118

Title: Analysis of the vibrational spectra of new OH-containing E-4-arylmethylene-3-isochromanones and 3-arylcoumarins.

Journal: Journal of biochemical and biophysical methods 20061130

Title: A new dihydroisocoumarin from the rhizomes of Notopterygium forbesii.

Journal: Natural product research 20060720

Title: Changes in secondary metabolism during stromatal ontogeny of Hypoxylon fragiforme.

Journal: Mycological research 20060701

Title: Conformational analysis of ochratoxin a by NMR spectroscopy and computational molecular modeling.

Journal: The journal of physical chemistry. B 20050908

Title: Structure determination of salvadorin, a novel dimeric dihydroisocoumarin from Salvadora oleoides, by NMR spectroscopy.

Journal: Magnetic resonance in chemistry : MRC 20050801

Title: Bibenzyls and dihydroisocoumarins from white salsify (Tragopogon porrifolius subsp. porrifolius).

Journal: Phytochemistry 20050701

Title: Synthesis and antimicrobial activities of some isocoumarin and dihydroisocoumarin derivatives.

Journal: Natural product research 20030601

Title: Antimalarial dihydroisocoumarins produced by Geotrichum sp., an endophytic fungus of Crassocephalum crepidioides.

Journal: Journal of natural products 20030501

Title: Stereoselective synthesis of pseudopeptide microbial agent AI-77-B.

Journal: Organic letters 20010823

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