Benzofuran-3-acetic Acid - CAS 64175-51-5

Catalog:	BB032390
Product Name:	Benzofuran-3-acetic Acid
CAS:	64175-51-5
Synonyms:	2-(3-benzofuranyl)acetic acid; 2-(1-benzofuran-3-yl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(1-benzofuran-3-yl)acetic acid
Description:	Benzofuran-3-acetic Acid (CAS# 64175-51-5) is a useful research chemical.
Molecular Weight:	176.17
Molecular Formula:	C10H8O3
Canonical SMILES:	C1=CC=C2C(=C1)C(=CO2)CC(=O)O
InChI:	InChI=1S/C10H8O3/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12)
InChI Key:	QWMVFCMIUUHJDH-UHFFFAOYSA-N
Boiling Point:	331.086 °C at 760 mmHg
Density:	1.317 g/cm³
Appearance:	Solid
MDL:	MFCD04114279
LogP:	2.05990

Publication Number	Title	Priority Date
US-2020095258-A1	Functionalized heterocycles as antiviral agents	20180921
WO-2020061435-A1	Functionalized heterocycles as antiviral agents	20180921
TW-202024093-A	Functionalized heterocycles as antiviral agents	20180921
US-10865211-B2	Functionalized heterocycles as antiviral agents	20180921
US-2021115060-A1	Functionalized heterocycles as antiviral agents	20180921

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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:	202
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:	2
Topological Polar Surface Area:	50.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8