AG003K0D

3273-68-5 | 4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)butanoic acid

AG003K0D

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CAS Number	3273-68-5
Catalog Number	AG003K0D(AGN-PC-00LP8J)
Chemical Name	4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)butanoic acid
IUPAC Name	4-(2-oxo-3H-benzimidazol-1-yl)butanoic acid
InChI	InChI=1S/C11H12N2O3/c14-10(15)6-3-7-13-9-5-2-1-4-8(9)12-11(13)16/h1-2,4-5H,3,6-7H2,(H,12,16)(H,14,15)
InChI Key	PTNUQSFEJXMNOQ-UHFFFAOYSA-N
MDL Number	MFCD06656423
Molecular Formula	C11H12N2O3
Molecular Weight	220.2246
SMILES	OC(=O)CCCN1C(=O)NC2=C1C=CC=C2
Synonyms	3273-68-5, 4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)butanoic acid, 4-(2-Oxo-2,3-dihydrobenzimidazol-1-yl)butyric acid, 4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)butanoic acid, 4-(2-OXO-3H-BENZIMIDAZOL-1-YL)BUTANOIC ACID, 1H-Benzimidazole-1-butanoic acid, 2,3-dihydro-2-oxo-, 2-OXO-1-BENZIMIDAZOLINEBUTYRIC ACID, 1H-BENZIMIDAZOLE-1-BUTANOIC ACID, 2,3-DIHYDRO-2-OXO, AK-76994, 1H-Benzimidazole-1-butanoic acid,2,3-dihydro-2-oxo, 1H-Benzimidazole-1-butanoicacid, 2,3-dihydro-2-oxo-, BUZOLIC ACID, SCHEMBL97551, CTK1C2130, DTXSID90532082, oxodihydrobenzimidazolylbutanoicacid, PTNUQSFEJXMNOQ-UHFFFAOYSA-N, BCP18192, CS-M2356, ANW-74241, CO0047, MFCD06656423, SBB095956, ZINC16698697, AKOS005070096, ACM3273685, AM90199, LS40697, MCULE-8350839646, PB12373, QC-4977, RP12742, TRA0030342, AJ-69516, SC-50649, SY033508, AB0071090, AX8058624, TR-013734, 4CH-002985, FT-0673417, ST24042865, Y1232, 4-(2-oxo-3-hydrobenzimidazolyl)butanoic acid, KS-00000756, MFCD06656423 (97%), Q-1045, 1Z-0605, 4-(2-oxo-3H-1,3-benzodiazol-1-yl)butanoic acid, (2-OXO-3H-BENZIMIDAZOL-1-YL)BUTANOIC ACID, 2,3-dihydro-2-oxo-1H-benzimidazol-1-butanoic acid, 2,3-Dihydro-2-oxo-1H-benzimidazole-1-butyric acid, I04-1438, J-018861, J-513338, 1H-BenziMidazole-1-butanoic acid,2,3-dihydro-2-oxo-, 2,3-DIHYDRO-2-OXO-1H-BENZIMIDAZOLE-1-BUTANOIC ACID, 4-(2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)butanoic acid, 4-(2-Oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-butanoic acid, 4-(2-OXO-2,3-DIHYDRO-1H-BENZIMIDAZOL-1-YL)BUTANOIC ACID, C11H12N2O3, ACN-029041, 4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)butanoicacid, 108831-68-1,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.085g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	220.228g/mol
Monoisotopic Mass	220.085g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number