2-Methoxy-6-methylbenzoic Acid - CAS 6161-65-5

Catalog:	BB031196
Product Name:	2-Methoxy-6-methylbenzoic Acid
CAS:	6161-65-5
Synonyms:	2-methoxy-6-methylbenzoic acid; 2-methoxy-6-methylbenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-methoxy-6-methylbenzoic acid
Description:	2-Methoxy-6-methylbenzoic Acid (CAS# 6161-65-5) is a useful research chemical.
Molecular Weight:	166.17
Molecular Formula:	C9H10O3
Canonical SMILES:	CC1=C(C(=CC=C1)OC)C(=O)O
InChI:	InChI=1S/C9H10O3/c1-6-4-3-5-7(12-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key:	MICCJGFEXKNBLU-UHFFFAOYSA-N
Boiling Point:	295.8 °C at 760 mmHg
Density:	1.168 g/cm³
MDL:	MFCD00463871
LogP:	1.70180

Publication Number	Title	Priority Date
CN-113072441-A	Preparation method of 2-methoxy-6-methylbenzoic acid	20210419
CN-111943823-A	Preparation method of metrafenone	20200916
CN-111718264-A	Method for co-producing 2-methyl-6-nitrobenzoic acid and 3-nitro-2-methylbenzoic acid	20200716
WO-2021204626-A1	Aryl and heteroaryl-carboxamide substituted heteroaryl compounds as tyk2 inhibitors	20200406
WO-2020163236-A1	Treating long qt syndrome	20190204

PMID	Publication Date	Title	Journal
16869669	20060803	Asymmetric total synthesis of (-)-panacene and correction of its relative configuration	Organic letters

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

GHS Hazard Statement:	H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.062994177
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.062994177
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7