AG00DAFQ

53484-17-6 | 1-Methylbenzodiazole-5-carboxylic acid

AG00DAFQ

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CAS Number	53484-17-6
Catalog Number	AG00DAFQ(AGN-PC-0LJARP)
Chemical Name	1-Methylbenzodiazole-5-carboxylic acid
IUPAC Name	1-methylbenzimidazole-5-carboxylic acid
InChI	InChI=1S/C9H8N2O2/c1-11-5-10-7-4-6(9(12)13)2-3-8(7)11/h2-5H,1H3,(H,12,13)
InChI Key	KAJLCBKTWRUQOI-UHFFFAOYSA-N
MDL Number	MFCD06809665
Molecular Formula	C9H8N2O2
Molecular Weight	176.1720
SMILES	CN1C=NC2=C1C=CC(=C2)C(O)=O
Synonyms	53484-17-6, 1-Methyl-1H-benzimidazole-5-carboxylic acid, 1-methyl-1H-benzo[d]imidazole-5-carboxylic acid, 1-methylbenzimidazole-5-carboxylic acid, CHEMBL3287369, 1H-Benzimidazole-5-carboxylic acid, 1-methyl-, KAJLCBKTWRUQOI-UHFFFAOYSA-N, 1-methyl-1H-1,3-benzodiazole-5-carboxylic acid, 1H-Benzimidazole-5-carboxylicacid, 1-methyl-, 1-methyl-5-benzimidazolecarboxylic acid, ZERO/005794, AC1NKGNS, SCHEMBL599310, CTK1G9051, KS-00000CWM, DTXSID20406742, ZINC4343361, ANW-56273, BBL022599, BDBM50017193, MFCD06809665, SBB013682, STK667575, 1-methylbenzimidazol-5-carboxylic acid, 1-Methylbenzimidazole-5-carboxylicAcid, AKOS000104227, CS-W003360, KD-0764, MCULE-6477128827, RP02991, VI10047, AJ-50686, AK-27289, SY024933, AB0041595, ST2408807, TR-018920, 4CH-014574, BB 0217051, FT-0646295, ST50570632, Y9373, 1-methyl-1,3-benzodiazole-5-carboxylic acid, 1-Methyl-1H-benzoimidazole-5-carboxylic acid, MFCD06809665 (97%), C-4428, 1-Methyl-1H-1,3-benzimidazole-5-carboxylic acid, A815456, A815457, A829621, 1H-1,3-Benzimidazole-5-carboxylic acid, 1-methyl-, I14-2993, J-504851, J-504858, F2158-0653, C9H8N2O2, 1-Methylbenzodiazole-5-carboxylic acid, CID4913063, 1-Methyl-1H-benzimidazole-5-carboxylicacid, 1-METHYL-1H-BENZIMIDAZOLE-6-CARBOXYLIC ACID, 1H-Benzimidazole-5-carboxylic acid, 1-methyl- (9CI), 21535-97-7,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number