3-Hydroxy-4-methoxybenzoic Acid - CAS 645-08-9

Catalog:	BB032486
Product Name:	3-Hydroxy-4-methoxybenzoic Acid
CAS:	645-08-9
Synonyms:	3-hydroxy-4-methoxybenzoic acid; 3-hydroxy-4-methoxybenzoic acid
Application:	3-Hydroxy-4-methoxybenzoic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	3-hydroxy-4-methoxybenzoic acid
Description:	Diosmin Impurity, used in the synthesis of opiate alkaloid precursor, dihydrothebainone.
Molecular Weight:	168.15
Molecular Formula:	C8H8O4
Canonical SMILES:	COC1=C(C=C(C=C1)C(=O)O)O
InChI:	InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
InChI Key:	LBKFGYZQBSGRHY-UHFFFAOYSA-N
Boiling Point:	344.3 °C at 760 mmHg
Purity:	> 95 %
Density:	1.351 g/cm³
Appearance:	White to brown solid
MDL:	MFCD00002507
LogP:	1.09900

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PMID	Publication Date	Title	Journal
23085650	20121012	In vitro and in vivo metabolism of verproside in rats	Molecules (Basel, Switzerland)
22860452	20120501	[Chemical constituents from Gueldenstaedtia stenophylla]	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica
21898586	20111001	Structure elucidation of two new unusual monoterpene glycosides from Euphorbia decipiens, by 1D and 2D NMR experiments	Magnetic resonance in chemistry : MRC
22260002	20110901	[Study on the chemical constituents of Phryma leptostachya]	Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials
21922913	20110801	Chemical constituents of Cichorium intybus and their inhibitory effects against urease and alpha-chymotrypsin enzymes	Natural product communications

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H315 (100%): 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:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.04225873
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	168.04225873
Rotatable Bond Count:	2
Topological Polar Surface Area:	66.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4