AG006UHP

23814-14-4 | 2-Oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylic acid

AG006UHP

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CAS Number	23814-14-4
Catalog Number	AG006UHP(AGN-PC-0O84NM)
Chemical Name	2-Oxo-1,3-dihydro-1,3-benzodiazole-5-carboxylic acid
IUPAC Name	2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid
InChI	InChI=1S/C8H6N2O3/c11-7(12)4-1-2-5-6(3-4)10-8(13)9-5/h1-3H,(H,11,12)(H2,9,10,13)
InChI Key	YIGYJEWJHOCKSR-UHFFFAOYSA-N
MDL Number	MFCD01233165
Molecular Formula	C8H6N2O3
Molecular Weight	178.1448
SMILES	O=C(C1=CC=C(C(N2)=C1)NC2=O)O
Synonyms	23814-14-4, 2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carboxylic acid, 2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid, 2-Oxo-2,3-dihydro-1H-benzoimidazole-5-carboxylic acid, 1H-Benzimidazole-5-carboxylic acid, 2,3-dihydro-2-oxo-, 2-OXO-2,3-DIHYDRO-1H-1,3-BENZODIAZOLE-5-CARBOXYLIC ACID, 2,3-DIHYDRO-2-OXOBENZIMIDAZOLE-5-CARBOXYLIC ACID, 2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid, 2-oxo-3-hydrobenzimidazole-5-carboxylic acid, AC1LFN6I, Oprea1_047361, AC1Q73U1, BEN259, SCHEMBL1095502, CTK0J9802, DTXSID00354737, YIGYJEWJHOCKSR-UHFFFAOYSA-N, BCP14945, KS-00000N7A, ZINC5582901, 1659AB, BBL012596, MFCD01233165, SBB053281, STK977858, AKOS000111530, AKOS009097831, AB08410, CS-W005273, MCULE-7763679638, NE11826, AJ-54344, AK115626, AT-37273, BAS 10231813, SC-90865, SY002743, TS-00183, DB-005123, 4CH-016171, FT-0080419, FT-0650873, ST50370622, 2-Hydroxy-1H-benzimidazole-5-carboxylic acid, EN300-35411, MFCD01233165 (95%), 1H-Benzimidazole-5-carboxylicacid, 2,3-dihydro-2-oxo-, Z234895459, 2-OXO-2,3-DIHYDRO-1H-BENZOIMIDAZOLE-5-CARBOXYLIC A, 2,3-DIHYDRO-2-OXO-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID, 2-OXO-1,3-DIHYDRO-1,3-BENZODIAZOLE-5-CARBOXYLIC ACID, 2-Oxo-2,3-dihydro-1H-benzoimidazole-5-carboxylic acid, AldrichCPR, 1H-Benzimidazole-5-carboxylicacid, C8H6N2O3, CID780757, 2-oxo-1,3-dihydrobenzoimidazole-5-carboxylic Acid,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	178.147g/mol
Monoisotopic Mass	178.038g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	UN 2811

Certificate of Analysis

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