3-Hydroxy-4-methylbenzoic acid - CAS 586-30-1

Catalog:	BB030103
Product Name:	3-Hydroxy-4-methylbenzoic acid
CAS:	586-30-1
Synonyms:	3-hydroxy-4-methylbenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-hydroxy-4-methylbenzoic acid
Description:	3-Hydroxy-4-methylbenzoic acid (CAS# 586-30-1) is also used in the preparation of a potent tie-2 kinase inhibitor in the inhibition of angiogenesis and tumor suppression. Used in the preparation of inhibitors of phosphatine kinases.
Molecular Weight:	152.15
Molecular Formula:	C8H8O3
Canonical SMILES:	CC1=C(C=C(C=C1)C(=O)O)O
InChI:	InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,9H,1H3,(H,10,11)
InChI Key:	ZQLCWPXBHUALQC-UHFFFAOYSA-N
Boiling Point:	352.6 ℃ at 760 mmHg
Density:	1.304 g/cm³
MDL:	MFCD00002511
LogP:	1.39880

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PMID	Publication Date	Title	Journal
16586422	20060512	Adsorption of functionalized benzoic acids on MgSO4.H2O (100)	Chemphyschem : a European journal of chemical physics and physical chemistry
4330964	19710301	Gentisic acid and its 3- and 4-methyl-substituted homologoues as intermediates in the bacterial degradation of m-cresol, 3,5-xylenol and 2,5-xylenol	The Biochemical journal

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride

GHS Hazard Statement:	H315 (94.12%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.047344113
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	152.047344113
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5