AG00IC42

709-19-3 | 1H-Benzimidazole-5-carboxylic acid, 2-methyl-

AG00IC42

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CAS Number	709-19-3
Catalog Number	AG00IC42(AGN-PC-0OGY3D)
Chemical Name	1H-Benzimidazole-5-carboxylic acid, 2-methyl-
IUPAC Name	2-methyl-3H-benzimidazole-5-carboxylic acid
InChI	InChI=1S/C9H8N2O2/c1-5-10-7-3-2-6(9(12)13)4-8(7)11-5/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key	GZHWABCBKGMLIE-UHFFFAOYSA-N
MDL Number	MFCD00800488
Molecular Formula	C9H8N2O2
Molecular Weight	176.1720
SMILES	O=C(C1=CC=C2NC(C)=NC2=C1)O
Synonyms	709-19-3, 2-methyl-1H-benzimidazole-5-carboxylic acid, 2-Methylbenzimidazole-5-carboxylic acid, 2-methyl-1H-benzo[d]imidazole-5-carboxylic acid, 2-methyl-1H-benzimidazole-6-carboxylic acid, 2-methyl-3H-benzimidazole-5-carboxylic acid, 2-Methyl-3H-benzoimidazole-5-carboxylic acid, SMR000135180, MLS000530203, 2-Methyl-1H-benzoimidazole-5-carboxylic acid, 2-methyl-1H-1,3-benzodiazole-6-carboxylic acid, 1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID, 2-METHYL-, 2-Methyl-1H-1,3-Benzodiazole-5-Carboxylic Acid, PubChem16255, ACMC-209ogl, AC1LMM6H, AC1Q2PC5, Cambridge id 5181263, Oprea1_303955, Oprea1_380509, Oprea1_545065, CHEMBL482642, SCHEMBL1106071, BDBM47941, cid_1132609, CTK7I8458, DTXSID30360609, GZHWABCBKGMLIE-UHFFFAOYSA-N, HMS2357C03, ZINC873422, ALBB-028168, STR07384, ANW-35971, BBL012588, CM-484, GEO-01752, MFCD00800488, SBB005450, STL163647, 2-methylbenzimidazol-5-carboxylic acid, AKOS000283111, AKOS000301481, AB07267, AC-9077, AN-7398, GL-0278, MCULE-9726958489, PS-3079, SDCCGMLS-0065823.P001, VI10123, 2-methylbenzimidazole-6-carboxylic acid, KS-0000115E, 2-methyl-benzoimidazole-5-carboxylic acid, AJ-24066, BAS 00431908, ST089594, TS-02434, 2-methyl-1H-benzimidazol-5-carboxylic acid, AB0020400, AB1007880, TC-124716, TR-023403, FT-0612898, V1256, 2-methyl-1H-benzo[d]imidazole-5carboxylic acid, C-5842, 709M193, AE-641/06317030, 2-Methyl-1H-benzimidazole-5-carboxylic acid, 96%, W-200492, 1H-BENZIMIDAZOLE-6-CARBOXYLIC ACID, 2-METHYL-, 2-METHYL-3H-BENZO[D]IMIDAZOLE-5-CARBOXYLIC ACID, F1196-0294, 2-Methyl-3H-benzimidazole-5-carboxylic acid; 2-Methylbenzimidazole-5-carboxylic acid, C9H8N2O2, ACN-050695, CID1132609, H0910, 1H-Benzimidazole-5-carboxylic acid, 2-methyl- (9CI), 2-Methyl-1H-benzimidazole-5-carboxylic acid, 97% - 1G 1g,

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	1.6

GHS Hazard and Precautionary Statements

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

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