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2-Oxo-2,3-dihydrobenzimidazole-4-carboxylic Acid

2-Oxo-2,3-dihydrobenzimidazole-4-carboxylic Acid - CAS 291289-41-3

Catalog:	BB020103
Product Name:	2-Oxo-2,3-dihydrobenzimidazole-4-carboxylic Acid
CAS:	291289-41-3
Synonyms:	2-oxo-1,3-dihydrobenzimidazole-4-carboxylic acid; 2-oxo-1,3-dihydrobenzimidazole-4-carboxylic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	2-oxo-1,3-dihydrobenzimidazole-4-carboxylic acid
Description:	2-Oxo-2,3-dihydrobenzimidazole-4-carboxylic Acid (CAS# 291289-41-3) is a useful research chemical.
Molecular Weight:	178.14
Molecular Formula:	C8H6N2O3
Canonical SMILES:	C1=CC(=C2C(=C1)NC(=O)N2)C(=O)O
InChI:	InChI=1S/C8H6N2O3/c11-7(12)4-2-1-3-5-6(4)10-8(13)9-5/h1-3H,(H,11,12)(H2,9,10,13)
InChI Key:	NEGPAVSXSLHMAR-UHFFFAOYSA-N
Appearance:	Solid
LogP:	0.96670

Publication Number	Title	Priority Date
US-2021214701-A1	Modified cleavases, uses thereof and related kits	20190326
US-2020207764-A1	Dihydrobenzimidazolones for medical treatment	20170904
JP-2015176688-A	Secondary battery composition, secondary battery electrode and secondary battery using the same	20140314
EP-3012256-B1	Benzimidazole-2-piperazine heterocyclic compound, pharmaceutical composition thereof, preparation method and use thereof	20130617
US-2014336377-A1	Arylamide derivatives as ttx-s blockers	20101018

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Carbonyl Compounds

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GHS Hazard Statement:	H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
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:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.03784206
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	178.03784206
Rotatable Bond Count:	1
Topological Polar Surface Area:	78.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1