2,3-Dihydroxybenzoic acid - CAS 303-38-8

Catalog:	BB020556
Product Name:	2,3-Dihydroxybenzoic acid
CAS:	303-38-8
Synonyms:	Pyrocatechuic acid; o-Pyrocatechuic acid; 2-Pyrocatechuic acid

Technical Data

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Computed Properties

IUPAC Name:	2,3-dihydroxybenzoic acid
Description:	2,3-Dihydroxybenzoic acid is a natural phenol found in Phyllanthus acidus and the aquatic fern Salvinia molesta.
Molecular Weight:	154.12
Molecular Formula:	C7H6O4
Canonical SMILES:	C1=CC(=C(C(=C1)O)O)C(=O)O
InChI:	InChI=1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)
InChI Key:	GLDQAMYCGOIJDV-UHFFFAOYSA-N
Boiling Point:	362.5±32.0 °C at 760 mmHg
Melting Point:	204-206 °C(lit.)
Density:	1.6±0.1 g/cm3
Appearance:	Beige powder
MDL:	MFCD00002446
LogP:	0.79600
Vapor Pressure:	0.0000021 [mmHg]

Publication Number	Title	Priority Date
US-10836703-B1	Hydroxytyrosol acitretin ester with antioxidant activity and a method of preparing the same	20200818
US-10959969-B1	Methods of treating SARS Cov-2 virus with protocatechuic acid	20200724
WO-2021122728-A1	1,5-diphenylpyrazolyl-3-oxyalkyl acids and 1-phenyl-5-thienylpyrazolyl-3-oxyalkyl acids and the use thereof for control of undesired plant growth	20191219
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212
WO-2021116227-A1	Antimicrobial composition	20191209

PMID	Publication Date	Title	Journal
29981789	20181001	Protective effects of (-)-epicatechin and the colonic metabolite 3,4-dihydroxyphenylacetic acid against glucotoxicity-induced insulin signalling blockade and altered glucose uptake and production in renal tubular NRK-52E cells	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
24625398	20140201	Influence of Genista tinctoria L. or methylparaben on subchronic toxicity of bisphenol A in rats	Biomedical and environmental sciences : BES
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology
23626763	20130101	Mitochondrial peroxiredoxin 3 regulates sensory cell survival in the cochlea	PloS one
23108268	20121214	Synthesis and evaluation of M. tuberculosis salicylate synthase (MbtI) inhibitors designed to probe plasticity in the active site	Organic & biomolecular chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.02660867
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	154.02660867
Rotatable Bond Count:	1
Topological Polar Surface Area:	77.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2