2-(1-benzofuran-2-yl)acetic acid - CAS 62119-70-4

Catalog:	BB031421
Product Name:	2-(1-benzofuran-2-yl)acetic acid
CAS:	62119-70-4
Synonyms:	2-(2-benzofuranyl)acetic acid; 2-(1-benzofuran-2-yl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(1-benzofuran-2-yl)acetic acid
Description:	2-(1-benzofuran-2-yl)acetic acid (CAS# 62119-70-4) is a useful research chemical.
Molecular Weight:	176.171
Molecular Formula:	C10H8O3
Canonical SMILES:	C1=CC=C2C(=C1)C=C(O2)CC(=O)O
InChI:	InChI=1S/C10H8O3/c11-10(12)6-8-5-7-3-1-2-4-9(7)13-8/h1-5H,6H2,(H,11,12)
InChI Key:	ZYIXXVCNAOYWQA-UHFFFAOYSA-N
Boiling Point:	331.086 °C at 760 mmHg
Density:	1.317 g/cm³
MDL:	MFCD00052742
LogP:	2.05990

Publication Number	Title	Priority Date
CN-110997664-A	Benzofuran amides and heteroaromatic analogs thereof for use in therapy	20170614
CN-107721954-A	The novel preparation method of the benzofuranacetic acid of 2,3 dihydro of darifenacin intermediate 5	20161130
CN-107721955-A	The novel preparation method of the benzofuranacetic acid of 2,3 dihydro of darifenacin intermediate 5	20161130
CN-107619384-A	Benzheterocyclic derivatives, its preparation method and its application in medicine	20160713
WO-2017066705-A1	Compounds, compositions and methods of use against stress granules	20151014

PMID	Publication Date	Title	Journal
21582557	20090325	Ethyl 2-(5-bromo-3-ethyl-sulfinyl-1-benzofuran-2-yl)acetate	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Benzofuran/Benzothiophene

[1427556-50-0]
N-(9,9-Dimethyl-9H-fluoren-2-yl)dibenzo[b,d]furan-3-amine
N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine
N-(9,9-diphenyl-9H-fluoren-2-yl)dibenzo[b,d]furan-3-amine
[50451-84-8]
5-chloro-3-methyl-1-benzothiophene-2-carboxylic acid
[926257-36-5]
4-Bromo-3-chloro-1-benzothiophene-2-carboxylic acid
[1934854-71-3]
N-Boc-7-aminobenzofuran

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

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:	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