3-Hydroxybenzoic acid - CAS 99-06-9

Catalog:	BB042250
Product Name:	3-Hydroxybenzoic acid
CAS:	99-06-9
Synonyms:	Benzoic acid, 3-hydroxy-; Benzoic acid, m-hydroxy-; 3-Carboxyphenol; m-Carboxyphenol; m-Hydroxybenzoic acid; m-Salicylic acid; NSC 55746

Technical Data

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Computed Properties

IUPAC Name:	3-hydroxybenzoic acid
Molecular Weight:	138.12
Molecular Formula:	C7H6O3
Canonical SMILES:	C1=CC(=CC(=C1)O)C(=O)O
InChI:	InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
InChI Key:	IJFXRHURBJZNAO-UHFFFAOYSA-N
Boiling Point:	346.1±25.0°C at 760 mmHg
Melting Point:	202°C
Purity:	≥95%
Density:	1.375±0.06 g/cm3
Solubility:	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance:	White to Off-white Powder
Storage:	Store at RT
MDL:	MFCD00002506
LogP:	1.09040
Vapor Pressure:	0.000158 [mmHg]

Publication Number	Title	Priority Date
CN-113337284-A	Acridine sulfonamide-carbon quantum dot hybrid material and application thereof in single molecule detection	20210622
CN-113149930-A	Cell sugar transport channel inhibitor	20210416
CN-113149946-A	Michellac dimethylamine lactone-m-hydroxybenzoate and preparation method and application thereof	20210416
CN-113087698-A	Preparation method and antifungal application of nicotine benzoate solid	20210413
CN-113185437-A	Preparation method of triphenyl sulfonium salt containing annular anion structure	20210409

PMID	Publication Date	Title	Journal
28594102	20170901	The inhibition effects of some natural products on lactoperoxidase purified from bovine milk	Journal of biochemical and molecular toxicology
28153595	20170325	Phenolic compounds: The inhibition effect on polyol pathway enzymes	Chemico-biological interactions
26303405	20151101	Resveratrol compounds inhibit human holocarboxylase synthetase and cause a lean phenotype in Drosophila melanogaster	The Journal of nutritional biochemistry
24165878	20140101	Resveratrol and EGCG bind directly and distinctively to miR-33a and miR-122 and modulate divergently their levels in hepatic cells	Nucleic acids research
22434718	20121101	Conversion of phenolic constituents in aqueous Hamamelis virginiana leaf extracts during fermentation	Phytochemical analysis : PCA

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GHS Hazard Statement:	H302 (94%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.031694049
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	138.031694049
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5