6-Methylbenzofuran-2-carboxylic Acid - CAS 50779-65-2

Catalog:	BB027213
Product Name:	6-Methylbenzofuran-2-carboxylic Acid
CAS:	50779-65-2
Synonyms:	6-methyl-2-benzofurancarboxylic acid; 6-methyl-1-benzofuran-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	6-methyl-1-benzofuran-2-carboxylic acid
Description:	6-Methylbenzofuran-2-carboxylic Acid (CAS# 50779-65-2) is a useful research chemical.
Molecular Weight:	176.17
Molecular Formula:	C10H8O3
Canonical SMILES:	CC1=CC2=C(C=C1)C=C(O2)C(=O)O
InChI:	InChI=1S/C10H8O3/c1-6-2-3-7-5-9(10(11)12)13-8(7)4-6/h2-5H,1H3,(H,11,12)
InChI Key:	STGSJLZWQHRTGE-UHFFFAOYSA-N
LogP:	2.43940

Publication Number	Title	Priority Date
WO-2021119249-A1	Cyclophilin d inhibitors and uses thereof	20191210
WO-2019087162-A1	Polycyclic herg activators	20171106
KR-20190018212-A	Composition for treating hair or fiber	20170814
US-2020108068-A1	Pyrimidine derivatives	20170518
US-2020179383-A1	Phenyl derivatives as pge2 receptor modulators	20170518

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Carbonyl Compounds

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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:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.047344113
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.047344113
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8