AG001DBV

1457-59-6 | 1H-Imidazole-5-carboxylic acid, 4-methyl-

AG001DBV

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CAS Number	1457-59-6
Catalog Number	AG001DBV(AGN-PC-0JLB7T)
Chemical Name	1H-Imidazole-5-carboxylic acid, 4-methyl-
EC Number	215-944-0
IUPAC Name	5-methyl-1H-imidazole-4-carboxylic acid
InChI	InChI=1S/C5H6N2O2/c1-3-4(5(8)9)7-2-6-3/h2H,1H3,(H,6,7)(H,8,9)
InChI Key	ULHLTDXPKWELHQ-UHFFFAOYSA-N
MDL Number	MFCD12827531
Molecular Formula	C5H6N2O2
Molecular Weight	126.1133
SMILES	CC=1N=CNC1C(=O)O
Synonyms	1457-59-6, 4-Methyl-1H-imidazole-5-carboxylic acid, 5-methyl-1H-imidazole-4-carboxylic acid, 5-Methyl-4-imidazolecarboxylic Acid, 5-Methyl-1H-4-carboxylic acid, 5-Methyl-3H-imidazole-4-carboxylic acid, 1H-Imidazole-5-carboxylic acid, 4-methyl-, 1H-Imidazole-5-carboxylicacid, 4-methyl-, 1H-Imidazole-4-carboxylic acid, 5-methyl-, EINECS 215-944-0, AC1Q5UGM, AC1L2KL7, SCHEMBL266474, CHEBI:74747, CTK0H7878, KS-00000CTX, DTXSID80163142, ULHLTDXPKWELHQ-UHFFFAOYSA-N, 5-Methyl-4-imidazolecarboxylicAcid, 4-methyl-5-imidazolecarboxylic acid, ALBB-011929, ZINC2004010, MFCD00233368, STK897772, 5-methyl-imidazole-4-carboxylic acid, AKOS005173403, AKOS005638916, Imidazole-5-carboxylic acid,4-methyl-, MCULE-8395032119, NCGC00339782-01, 1H-Imidazole-5-carboxylicacid,4-methyl-, AC-28875, AJ-63487, AM803223, AS-10256, SY022377, DB-063623, TC-307924, TR-050396, 4CH-025106, BB 0253702, R2712, ST24043877, MFCD12827531 (95%), M57015, Y-7301, AB01332349-02, J-008148, S14-2813, 5-Methyl-3H-imidazole-4-carboxylic acid, AldrichCPR, C5-H6-N2-O2, CID73825, AR-1J2288, Imidazole-5-carboxylic acid, 4-methyl-, 14803-86-2, 64829-31-8,

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 statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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