5-Methylbenzofuran-2-carboxylic Acid - CAS 10242-09-8

Catalog:	BB000855
Product Name:	5-Methylbenzofuran-2-carboxylic Acid
CAS:	10242-09-8
Synonyms:	5-methyl-2-benzofurancarboxylic acid; 5-methyl-1-benzofuran-2-carboxylic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	5-methyl-1-benzofuran-2-carboxylic acid
Description:	5-Methylbenzofuran-2-carboxylic Acid (CAS# 10242-09-8) is a useful research chemical.
Molecular Weight:	176.17
Molecular Formula:	C10H8O3
Canonical SMILES:	CC1=CC2=C(C=C1)OC(=C2)C(=O)O
InChI:	InChI=1S/C10H8O3/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5H,1H3,(H,11,12)
InChI Key:	RNTYTQILDXWFLQ-UHFFFAOYSA-N
Boiling Point:	332.1 °C at 760 mmHg
Density:	1.303 g/cm³
Storage:	Sealed in dry, 2-8 °C
LogP:	2.43940

Publication Number	Title	Priority Date
WO-2021119249-A1	Cyclophilin d inhibitors and uses thereof	20191210
US-2021221843-A1	Epha2 agonists and uses thereof	20180607
US-2020108068-A1	Pyrimidine derivatives	20170518
US-2020179383-A1	Phenyl derivatives as pge2 receptor modulators	20170518
US-2021113559-A1	Pyrimidine derivatives as pge2 receptor modulators	20170518

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Related Functional Groups

Carbonyl Compounds

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GHS Hazard Statement:	H302 (100%): 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:	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