AG0066NP

70631-93-5 | 1H-​Imidazole-​2-​carboxylic acid, 5-​methyl-

AG0066NP

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CAS Number	70631-93-5
Catalog Number	AG0066NP(AGN-PC-0OGX6P)
Chemical Name	1H-​Imidazole-​2-​carboxylic acid, 5-​methyl-
IUPAC Name	5-methyl-1H-imidazole-2-carboxylic acid
InChI	InChI=1S/C5H6N2O2/c1-3-2-6-4(7-3)5(8)9/h2H,1H3,(H,6,7)(H,8,9)
InChI Key	JYKNMRPMJXDBJS-UHFFFAOYSA-N
MDL Number	MFCD09055403
Molecular Formula	C5H6N2O2
Molecular Weight	126.1133
SMILES	C(=O)(O)c1nc(c[nH]1)C
Synonyms	4-Methyl-1H-imidazole-2-carboxylic acid, 70631-93-5, 5-methyl-1H-imidazole-2-carboxylic acid, 1H-Imidazole-2-carboxylic acid, 4-methyl-, JYKNMRPMJXDBJS-UHFFFAOYSA-N, AC1LBGEB, AC1Q2OJL, AC1Q5UFO, SCHEMBL148063, CHEBI:74745, CTK5D2680, DTXSID00339640, ACN-P001152, ALBB-014829, KS-00000O6P, ANW-60163, MFCD09055403, ZINC19093618, 5-methyl-imidazole-2-carboxylic acid, AKOS005174592, AKOS006230707, AKOS025394819, AB53262, RP00809, Imidazole-2-carboxylic acid, 4-methyl-, AJ-72174, AK-29453, AN-37730, 4-Methyl-1H-imidazole-2-carboxylic acid #, AB0042026, AB1008871, DB-074328, TR-039386, C2865, FT-0083364, FT-0649955, ST24044861, Y9876, 4-METHYL-1H-IMIDAZOLE-2-CARBOXYLICACID, Y-5586, 631M935, J-515691, 4-Methyl-1H-imidazole-2-carboxylic acid, AldrichCPR, I14-13202, null, C5H6N2O2, AR-1G3282, CID557497, ACN-039227, 4-methyl-1(3)H-imidazole-2-carboxylic acid, 4-Methyl-1H-Imidazole-2-Carboxylic Acid Hydrate, 71202-82-9,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.043g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	126.115g/mol
Monoisotopic Mass	126.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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

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