AG0032SP

41806-40-0 | 1-Methyl-1H-imidazole-5-carboxylic acid

AG0032SP

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CAS Number	41806-40-0
Catalog Number	AG0032SP(AGN-PC-0WA4PX)
Chemical Name	1-Methyl-1H-imidazole-5-carboxylic acid
IUPAC Name	3-methylimidazole-4-carboxylic acid
InChI	InChI=1S/C5H6N2O2/c1-7-3-6-2-4(7)5(8)9/h2-3H,1H3,(H,8,9)
InChI Key	PBEDVTDUVXFSMW-UHFFFAOYSA-N
MDL Number	MFCD00955677
Molecular Formula	C5H6N2O2
Molecular Weight	126.1133
SMILES	CN1C=NC=C1C(=O)O
Synonyms	1-methyl-1H-imidazole-5-carboxylic acid, 41806-40-0, 1-methylimidazole-5-carboxylic acid, 3-methylimidazole-4-carboxylic Acid, 1-METHYL-1H-5-IMIDAZOLECARBOXYLIC ACID, 5-Carboxy-1-methyl-1H-imidazole, MFCD00955677, 1-Methyl-1H-imidazole-5-carboxylicacid, 3-methyl-3H-imidazole-4-carboxylic acid, PubChem20954, ACMC-209jlu, AC1MCN24, AC1Q3Z1O, KSC236I7P, SCHEMBL301936, CTK1D6477, DTXSID70378506, PBEDVTDUVXFSMW-UHFFFAOYSA-N, 1-methyl-5-imidazolecarboxylic acid, 3-methyl-4-imidazolecarboxylic acid, ACT08098, ALBB-014972, BCP15504, KS-000002EN, 1-methylimidazol-5-ylcarboxylic acid, ANW-29680, CL2207, SBB053206, ZINC19850648, 1-methyl-5-imidazole carboxylic acid, AKOS005174555, AKOS015995570, 1-Methyl Imidazole -5-carboxylic acid, AC-3065, AS-5483, CM-1157, CM14206, CS-W002710, PB24704, RP00808, RTC-030406, TRA0022455, VI10049, AK-35106, AN-13310, BC220093, BR-35106, SC-21088, SY003725, 1H-Imidazole-5-carboxylicacid, 1-methyl-, AB0001823, AB1001716, DB-005742, ST1251318, TC-030406, 4CH-014577, AM20100108, C2823, FT-0602772, B-3447, MFCD00955677 (97+%), 806M400, 1H-imidazole-5-carboxylic acid, 1-methyl-, nitrate, J-504869, W-206522, I14-22800, F8881-6570, Z1741972934, null, C5H6N2O2, ACN-025560, CID2773507, 1-Methyl-1H-imidazole-2-carboxylic acid, A6871, 1-Methyl-1H-imidazole-5-carboxylic acid, 98% - 1G 1g,

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	1
Isotope Atom Count	0
Molecular Weight	126.115g/mol
Monoisotopic Mass	126.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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