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99-10-5,MFCD00002512
Catalog No.:AA003IKN
99-10-5 | 3,5-Dihydroxybenzoic acid
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5g
98%
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$8.00   $5.00
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10g
98%
in stock  
$9.00   $6.00
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25g
98%
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$12.00   $8.00
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100g
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003IKN
Chemical Name:
3,5-Dihydroxybenzoic acid
CAS Number:
99-10-5
Molecular Formula:
C7H6O4
Molecular Weight:
154.1201
MDL Number:
MFCD00002512
IUPAC Name:
3,5-dihydroxybenzoic acid
InChI:
InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
InChI Key:
UYEMGAFJOZZIFP-UHFFFAOYSA-N
SMILES:
Oc1cc(O)cc(c1)C(=O)O
EC Number:
202-730-7
UNII:
2WC5LMO6L1
NSC Number:
22948
Properties
Computed Properties
 
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.027g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
154.121g/mol
Monoisotopic Mass:
154.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
3,5-dihydroxybenzoic acid 
alpha-resorcylic acid 
UNII-2WC5LMO6L1 
ACN-040659 
alpha-resorcylic acid, copper (2+) salt 
3,5-Dihydroxybenzoic acid, 98% - 25g 25g 
C076950 
106-43-4 
3,5-Dihydroxy benzoic acid 
3,5-Dihydroxy-benzoic acid 
3,5-DIHYDROXYBENZOATE 
NSC 22948 
3,5-Dihydroxybenzoicacid 
a-resorcylic acid 
3,5-Dihydroxybenzoic acid, 97% 
.alpha.-Resorcylic acid 
EINECS 202-730-7 
alpha-resorcylic acid, copper (2+) salt 
MFCD00002512 
BRN 2207864 
2WC5LMO6L1 
CHEMBL95308 
AI3-52338 
CHEBI:39912 
UYEMGAFJOZZIFP-UHFFFAOYSA-N 
34D 
PubChem9162 
ACMC-1BQHO 
alpha-resorcylic acid, sodium salt 
AC1L1OQD 
3,5-dihyroxybenzoic acid 
3,5-Dihydroxybenzoate, IX 
SCHEMBL28106 
4-10-00-01501 (Beilstein Handbook Reference) 
KSC489M8F 
GTPL5783 
DTXSID8059184 
CTK3I9682 
ZINC388546 
3,5-DIHYDROXYBENZOIC ACID 
NSC22948 
STR02341 
ANW-13674 
BBL019762 
BDBM50336490 
NSC-22948 
SBB058836 
STL146349 
AKOS005721135 
AB00234 
99-10-5 
AC-1166 
CS-W016276 
HY-W015560 
MCULE-4631439955 
NE10203 
PS-4051 
RP21800 
RTC-020130 
TRA0063493 
AC-10253 
alpha-Resorcylic acid 
AJ-20678 
AK-44160 
AN-15192 
BC676294 
SC-07533 
DB-028292 
LS-143431 
ST2410308 
TC-020130 
TL8006060 
5-Carboxyresorcinol 
3,5-Dihydroxybenzoic acid (ACD/Name 4.0) 
B7686 
D0570 
D2554 
FT-0602267 
ST50824444 
KS-00000074 
3,5-dihydroxybenzoic acid (alpha-resorcylic acid) 
AE-562/40806860 
alpha-Resorcylic Acid (3,5-Dihydroxybenzoic Acid) 
Benzoic acid, 3,5-dihydroxy- 
I01-0441 
I01-5235 
Q-200348 
F0001-2331 
Z1705787110 
3,5-Dihydroxybenzoic acid, Vetec(TM) reagent grade, 97% 
InChI=1/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11 
benzoate 
benzoic acid 
DHBA 
3,5-DHBA 
|A-Resor-cylic acid 
3,5-dihydroxybenzoesyre 
Benzoic acid,5-dihydroxy- 
D0W1OR 
alpha-Resorcylic acid<!-- 
C7H6O4 
CID7424 
alpha-resorcylic acid, sodium salt 
C7-H6-O4 
3,5-Bis(trifluoromethyl)bromobenzene 
Literature

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Journal: European journal of clinical nutrition 20120801

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Title: Comparison of gas chromatography-mass spectrometry and high-performance liquid chromatography with coulometric electrode array detection for determination of alkylresorcinol metabolites in human urine.

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Title: Kinetic and docking studies of phenol-based inhibitors of carbonic anhydrase isoforms I, II, IX and XII evidence a new binding mode within the enzyme active site.

Journal: Bioorganic & medicinal chemistry 20110215

Title: Benzyl benzoates: New phlorizin analogs as mushroom tyrosinase inhibitors.

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Title: Stability-indicating HPLC Method for Simultaneous Determination of Terbutaline Sulphate, Bromhexine Hydrochloride and Guaifenesin.

Journal: Indian journal of pharmaceutical sciences 20110101

Title: Electrophoretic deposition of TiO2 and composite TiO2-MnO2 films using benzoic acid and phenolic molecules as charging additives.

Journal: Journal of colloid and interface science 20101215

Title: Bis[tetra-aqua-(1,10-phenanthroline-κN,N')cobalt(II)] hexa-aqua-cobalt(II) bis-[3,5-bis-(carboxyl-atometh-oxy)benzoate] tetra-hydrate.

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Journal: Journal of experimental botany 20101001

Title: Hydrogen-bonding-induced colorimetric detection of melamine by nonaggregation-based Au-NPs as a probe.

Journal: Biosensors & bioelectronics 20100815

Title: Aspergillus oryzae type III polyketide synthase CsyA is involved in the biosynthesis of 3,5-dihydroxybenzoic acid.

Journal: Bioorganic & medicinal chemistry letters 20100815

Title: Structural characteristics of green tea catechins for formation of protein carbonyl in human serum albumin.

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Title: Effects of natural organic matter model compounds on the transformation of carbon tetrachloride by chloride green rust.

Journal: Water research 20100401

Title: Determination of alkylresorcinol metabolites in human urine by gas chromatography-mass spectrometry.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20100401

Title: Liquid chromatographic/electrospray ionization mass spectrometric identification of the oxidation end-products of trans-resveratrol in aqueous solutions.

Journal: Rapid communications in mass spectrometry : RCM 20100315

Title: Nematicidal natural products from the aerial parts of Rubus niveus.

Journal: Natural product research 20100301

Title: Plasma alkylresorcinol metabolites as potential biomarkers of whole-grain wheat and rye cereal fibre intakes in women.

Journal: The British journal of nutrition 20100201

Title: Effect of position isomerism on the formation and physicochemical properties of pharmaceutical co-crystals.

Journal: Journal of pharmaceutical sciences 20100101

Title: Angiotensin II inhibits insulin-stimulated GLUT4 translocation and Akt activation through tyrosine nitration-dependent mechanisms.

Journal: PloS one 20100101

Title: Plasma and urinary alkylresorcinol metabolites as potential biomarkers of breast cancer risk in Finnish women: a pilot study.

Journal: Nutrition and cancer 20100101

Title: Ligand-induced conformational rearrangements promote interaction between the Escherichia coli enterobactin biosynthetic proteins EntE and EntB.

Journal: Journal of molecular biology 20091030

Title: Inhibitive effects of alkyl gallates on hyaluronidase and collagenase.

Journal: Bioscience, biotechnology, and biochemistry 20091001

Title: (E)-N'-(5-Chloro-2-hydroxy-benzyl-idene)-3,5-dihydroxy-benzohydrazide mono-hydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20090401

Title: Separation of five isomers of dihydroxybenzoic acid by high-speed counter-current chromatography with dual-rotation elution method.

Journal: Journal of chromatographic science 20090101

Title: A type I/type III polyketide synthase hybrid biosynthetic pathway for the structurally unique ansa compound kendomycin.

Journal: Chembiochem : a European journal of chemical biology 20081103

Title: Determination of dopamine in the presence of ascorbic acid using poly(3,5-dihydroxy benzoic acid) film modified electrode.

Journal: Analytical biochemistry 20081015

Title: Quantification of alkylresorcinol metabolites in plasma by high-performance liquid chromatography with coulometric electrode array detection.

Journal: Journal of agricultural and food chemistry 20080910

Title: A xerogel-sequestered selenoxide catalyst for brominations with hydrogen peroxide and sodium bromide in an aqueous environment.

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Title: Plasma alkylresorcinols and urinary alkylresorcinol metabolites as biomarkers of cereal fiber intake in Finnish women.

Journal: Cancer epidemiology, biomarkers & prevention : a publication of the American Association for Cancer Research, cosponsored by the American Society of Preventive Oncology 20080901

Title: Bis(2,5-dihydroxy-benzoato-κO)bis-(1,10-phenathroline-κN,N')cadmium(II) 1.25-hydrate.

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Title: Inhibition of 15-lipoxygenase-catalysed oxygenation of arachidonic acid by substituted benzoic acids.

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

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Title: Hydrated salts of 3,5-dihydroxybenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in two and three dimensions.

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