AG005SBA

99459-47-9 | 6-Methyl-1h-benzimidazole-2-carboxylic acid

AG005SBA

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CAS Number	99459-47-9
Catalog Number	AG005SBA(AGN-PC-0OP5QU)
Chemical Name	6-Methyl-1h-benzimidazole-2-carboxylic acid
IUPAC Name	6-methyl-1H-benzimidazole-2-carboxylic acid
InChI	InChI=1S/C9H8N2O2/c1-5-2-3-6-7(4-5)11-8(10-6)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key	ZCDFRCAJGXZHBJ-UHFFFAOYSA-N
MDL Number	MFCD03368381
Molecular Formula	C9H8N2O2
Molecular Weight	176.1720
SMILES	O=C(C1=NC2=CC(C)=CC=C2N1)O
Synonyms	99459-47-9, 5-methyl-1H-benzo[d]imidazole-2-carboxylic acid, 6-methyl-1H-benzimidazole-2-carboxylic acid, 6-Methyl-1H-benzoimidazole-2-carboxylic acid, CHEMBL596008, 5-methyl-1H-benzimidazole-2-carboxylic acid, 1H-BENZIMIDAZOLE-2-CARBOXYLIC ACID, 6-METHYL-, 6-METHYL-1H-1,3-BENZODIAZOLE-2-CARBOXYLIC ACID, 6-METHYL-1H-BENZO[D]IMIDAZOLE-2-CARBOXYLIC ACID, 5-methylbenzimidazole-2-carboxylic acid, BAS 10152003, AC1LTY6H, 1H-Benzimidazole-2-carboxylicacid,6-methyl-, SCHEMBL2214853, CTK3I5749, DTXSID90363979, ALBB-012415, ZINC4384368, BBL002295, BDBM50305665, MFCD03368381, SBB071738, STK895029, AKOS000506106, AKOS003277880, AB29997, MCULE-1968751814, NCGC00327754-01, AJ-50993, AB0180507, TR-043552, BB 0241007, R9410, ST45026926, 1h-benzimidazole-2-carboxylic acid,5-methyl-, 1H-Benzimidazole-2-carboxylicacid, 6-methyl-, 5-methyl-1h-benzoimidazole-2-carboxylic acid, 1H-Benzimidazole-2-carboxylic acid, 5-methyl-, 6-Methyl-1H-benzoimidazole-2-carboxylic acid, Y-2555, 5-methyl-1H-1,3-benzodiazole-2-carboxylic acid, AB01323381-02, A846030, 6-Methyl-1H-benzoimidazole-2-carboxylic acid, AldrichCPR, A3147/0133042, CID1516859,

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	2
Isotope Atom Count	0
Molecular Weight	176.175g/mol
Monoisotopic Mass	176.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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