AG002ABF

20572-01-4 | 1H-Benzimidazole-2-carboxylic acid, 1-methyl-

AG002ABF

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CAS Number	20572-01-4
Catalog Number	AG002ABF(AGN-PC-0KPYTI)
Chemical Name	1H-Benzimidazole-2-carboxylic acid, 1-methyl-
IUPAC Name	1-methylbenzimidazole-2-carboxylic acid
InChI	InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)10-8(11)9(12)13/h2-5H,1H3,(H,12,13)
InChI Key	YHHVGKXAIOVFOH-UHFFFAOYSA-N
MDL Number	MFCD01836869
Molecular Formula	C9H8N2O2
Molecular Weight	176.1720
SMILES	CN1C(=NC2=C1C=CC=C2)C(O)=O
Synonyms	20572-01-4, 1-methyl-1H-benzo[d]imidazole-2-carboxylic acid, 1-METHYL-1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID, 1-Methyl-1H-1,3-Benzodiazole-2-Carboxylic Acid, 1-methylbenzimidazole-2-carboxylic acid, 1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID, 1-METHYL-, YHHVGKXAIOVFOH-UHFFFAOYSA-N, 1-Methyl-1H-benzoimidazole-2-carboxylic acid, 1H-Benzimidazole-2-carboxylicacid, 1-methyl-, AC1MKMLP, BAS 10156847, AC1Q3XMX, SCHEMBL760729, CTK1A1585, KS-00003KTI, DTXSID40390250, BDBM105184, HMS1700N03, ZINC2385171, ANW-57320, MFCD01836869, AKOS000506112, AB09980, CS-W019148, FS-3605, MP-1456, 1-methyl-2-benzimidazolecarboxylic acid, AJ-35148, BC684046, SC-13965, DB-005741, ST2415389, TC-146065, 4CH-012868, FT-0081387, FT-0651123, Z4393, 1-Methyl-1H-benzo[d]imidazole-2-carboxylic ac, A814706, 1H-1,3-Benzimidazole-2-carboxylic acid, 1-methyl-, 1-methyl-1H-1,3-benzodiazole-2-carboxylic acid (MB32-4), C9H8N2O2, CID3159705, 1H-Benzimidazole-2-carboxylicacid,1-methyl-, 1-METHYL-1H-BENZIMIDAZOLE-2-CARBOXYLICACID,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.175g/mol
Monoisotopic Mass	176.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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