Home Aldehydes 100-83-4
100-83-4,MFCD00003368
Catalog No.:AA000054
100-83-4 | Benzaldehyde, 3-hydroxy-
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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
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000054
Chemical Name:
Benzaldehyde, 3-hydroxy-
CAS Number:
100-83-4
Molecular Formula:
C7H6O2
Molecular Weight:
122.1213
MDL Number:
MFCD00003368
IUPAC Name:
3-hydroxybenzaldehyde
InChI:
InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H
InChI Key:
IAVREABSGIHHMO-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)O
EC Number:
202-892-9
UNII:
8Z2819J40E
NSC Number:
3504
Properties
Computed Properties
 
Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.037g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
122.123g/mol
Monoisotopic Mass:
122.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
3-hydroxybenzaldehyde 
m-hydroxybenzaldehyde 
Benzaldehyde, m-hydroxy- 
3-HYDROXY-BENZALDEHYDE 
UNII-8Z2819J40E 
3-hydroxy benzaldehyde 
NSC 3504 
EINECS 202-892-9 
MFCD00003368 
BRN 0507099 
AI3-12120 
CHEBI:16207 
meta-hydroxybenzaldehyde 
IAVREABSGIHHMO-UHFFFAOYSA-N 
8Z2819J40E 
3-Hydroxybenzaldehyde, 98.5% 
3-Hydroxybenzaldehyd 
3-hydroxylbenzaldehyde 
3-oxidanylbenzaldehyde 
m-hydroxy benzaldehyde 
PubChem7767 
3-hydroxy benzoaldehyde 
(3-hydroxyphenyl)methanone 
3-hydroxybenzaldehyde 
ACMC-2097so 
EC 202-892-9 
AC1L18HC 
SCHEMBL35726 
4-08-00-00240 (Beilstein Handbook Reference) 
KSC177G0R 
(3-hydroxyphenyl) formaldehyde 
AC1Q790K 
CHEMBL243816 
Jsp000165 
100-83-4 
3-Hydroxybenzaldehyde, >=99% 
DTXSID7059220 
CTK0H7308 
NSC3504 
ZINC901630 
ACT07002 
CS-M0589 
KS-000002LQ 
NSC-3504 
STR01419 
m-Formylphenol 
ANW-14374 
BBL022923 
CH0044 
SBB040208 
STK199259 
AKOS000119743 
AC-1263 
AN-7017 
LS10593 
MCULE-7122569137 
m-Hydroxybenzaldehyde 
RP19454 
RP19455 
RTR-000254 
TRA0025040 
AJ-24373 
AK-77369 
BC226069 
CJ-04551 
LS-25059 
SC-00058 
3-Formylphenol 
SY001091 
ZB015296 
AB1002514 
ST2410731 
TR-000254 
FT-0615830 
ST50213351 
A-7626 
C03067 
H-3750 
Benzaldehyde, 3-hydroxy- 
12829-EP2295414A1 
12829-EP2316831A1 
MFCD00003368 (97+%) 
I01-1978 
F2190-0629 
InChI=1/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9 
3-Hydroxybenzaldehyde, purum, >=95.0% (HPLC), faintly yellow to light brown 
null 
Ethyl glyoxalate 
Benzaldehido, 3-hidroxi- 
meta-Hydroxybenzaldehyde 
C7H6O2 
CID101 
3-Hydroxybenzaldehyde, 97% 25g 
C7-H6-O2 
c0055 
ACN-040335 
H0197 
3-Hydroxybenzaldehyde, 99% - 100G 100g 
C011275 
924-44-7 
Literature

Title: New 1,3,4-bisthiadiazolines: synthesis, characterization and antimicrobial evaluations.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121101

Title: Growth and characterization of organic material 3-hydroxybenzaldehyde single crystal by modified vertical Bridgman technique.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120215

Title: Thermochemical data and additivity group values for ten species of o-xylene low-temperature oxidation mechanism.

Journal: The journal of physical chemistry. A 20120112

Title: Interference of H-bonding and substituent effects in nitro- and hydroxy-substituted salicylaldehydes.

Journal: Journal of molecular modeling 20120101

Title: Imidazolines as non-classical bioisosteres of N-acyl homoserine lactones and quorum sensing inhibitors.

Journal: International journal of molecular sciences 20120101

Title: 2-(3-Hy-droxy-benzyl-amino)-acetic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20110701

Title: Health-Beneficial Phenolic Aldehyde in Antigonon leptopus Tea.

Journal: Evidence-based complementary and alternative medicine : eCAM 20110101

Title: Synthesis of novel biologically active heterocyclic compounds from 2-oxo-2H-benzopyran-6-yl-imidazolidine.

Journal: Acta poloniae pharmaceutica 20110101

Title: (E)-N'-(3-Hy-droxy-benzyl-idene)-3-nitro-benzohydrazide.

Journal: Acta crystallographica. Section E, Structure reports online 20110101

Title: Hydrogen bond, dimerization and vibrational modes in 2-chloro-3-hydroxybenzaldehyde and 3-chloro-4-hydroxybenzaldehyde from vibrational and ab initio studies.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20101201

Title: (E)-1-[4-(Hex-yloxy)phen-yl]-3-(3-hy-droxy-phen-yl)prop-2-en-1-one.

Journal: Acta crystallographica. Section E, Structure reports online 20101201

Title: N'-(3-Hy-droxy-benzyl-idene)-4-nitro-benzohydrazide.

Journal: Acta crystallographica. Section E, Structure reports online 20101101

Title: Dimethyl 4-(3-hydroxy-phen-yl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20100401

Title: Ethyl 4-(3-hydroxy-phen-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20091101

Title: A chemical screening approach reveals that indole fluorescence is quenched by pre-fibrillar but not fibrillar amyloid-beta.

Journal: Bioorganic & medicinal chemistry letters 20090901

Title: 1,2-Bis(3-hydroxy-benzyl-idene)diazane.

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

Title: 3-[1-(3-Hydroxy-benz-yl)-1H-benz-imid-azol-2-yl]phenol.

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

Title: Asymmetric total synthesis of (-)-quinocarcin.

Journal: Journal of the American Chemical Society 20080604

Title: Cationic porphyrin induced a telomeric DNA to g-quadruplex form in water.

Journal: Bioinorganic chemistry and applications 20080101

Title: Redetermination of 4-hydroxy-benzaldehyde.

Journal: Acta crystallographica. Section E, Structure reports online 20080101

Title: 2'-(3-Hydroxy-benzyl-idene)pyrazine-2-carbohydrazide monohydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20080101

Title: Low-energy collision-induced fragmentation of negative ions derived from ortho-, meta-, and para-hydroxyphenyl carbaldehydes, ketones, and related compounds.

Journal: Journal of mass spectrometry : JMS 20070901

Title: Combinatorial synthesis and characterization of new asymmetric porphyrins as potential photosensitizers in photodynamic therapy.

Journal: Combinatorial chemistry & high throughput screening 20070701

Title: 3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors.

Journal: Bioorganic & medicinal chemistry 20070301

Title: A new copper(I)-tetrahydrosalen-catalyzed asymmetric Henry reaction and its extension to the synthesis of (S)-norphenylephrine.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany) 20070101

Title: Synthesis and characterization of a novel functionalized azanonaborane cluster for boron neutron capture therapy.

Journal: Organic & biomolecular chemistry 20050607

Title: Subphthalocyanines: tuneable molecular scaffolds for intramolecular electron and energy transfer processes.

Journal: Journal of the American Chemical Society 20040526

Title: IR spectral and structural changes caused by the conversion of 3-hydroxybenzaldehyde into the oxyanion.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20030501

Title: Effects of aldehyde dehydrogenase-2 genetic polymorphisms on metabolism of structurally different aldehydes in human liver.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20020101

Title: GC/ITMS measurement of carbonyls and multifunctional carbonyls in PM2.5 particles emitted from motor vehicles.

Journal: Journal of AOAC International 20010101

Title: The aromatic alcohol dehydrogenases in Pseudomonas putida N.C.I.B. 9869 grown on 3,5-xylenol and p-cresol.

Journal: The Biochemical journal 19781101

Title: Aromatic aldehyde dehydrogenase from Pseudomonas putida N.C.I.B. 9869.

Journal: Biochemical Society transactions 19750101

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