6-Methylbenzofuran-3-acetic Acid - CAS 142917-39-3

Catalog:	BB009465
Product Name:	6-Methylbenzofuran-3-acetic Acid
CAS:	142917-39-3
Synonyms:	2-(6-methyl-3-benzofuranyl)acetic acid; 2-(6-methyl-1-benzofuran-3-yl)acetic acid

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Computed Properties

IUPAC Name:	2-(6-methyl-1-benzofuran-3-yl)acetic acid
Description:	6-Methylbenzofuran-3-acetic Acid (CAS# 142917-39-3) is a useful research chemical.
Molecular Weight:	190.20
Molecular Formula:	C11H10O3
Canonical SMILES:	CC1=CC2=C(C=C1)C(=CO2)CC(=O)O
InChI:	InChI=1S/C11H10O3/c1-7-2-3-9-8(5-11(12)13)6-14-10(9)4-7/h2-4,6H,5H2,1H3,(H,12,13)
InChI Key:	ZGVSMROZRSOMIQ-UHFFFAOYSA-N
Boiling Point:	344.8 °C at 760 mmHg
Density:	1.267 g/cm³
LogP:	2.36830

Publication Number	Title	Priority Date
US-2017334923-A1	Opioid receptor modulators	20141126
US-2013345444-A1	Production method of optically active dihydrobenzofuran derivative	20110217
US-8952185-B2	Production method of optically active dihydrobenzofuran derivative	20110217
US-2009270409-A1	Compounds and compositions as modulators of gpr119 activity	20070920
US-2011224185-A1	Compounds and compositions as modulators of gpr119 activity	20070920

PMID	Publication Date	Title	Journal
17165815	20061215	Assay principle for modulators of protein-protein interactions and its application to non-ATP-competitive ligands targeting protein kinase A	Analytical chemistry

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Related Functional Groups

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[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

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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:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.062994177
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.062994177
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2