1H-Imidazole-5-carboxylic acid, 1-methyl-4-nitro-, methyl ester structure

1H-Imidazole-5-carboxylic acid, 1-methyl-4-nitro-, methyl ester

methyl 3-methyl-5-nitroimidazole-4-carboxylate

Also Known As: ACMC-20ls4f|Methyl 1-methyl-4-nitro-1H-imidazole-5-carboxylate|methyl 3-methyl-5-nitroimidazole-4-carboxylate|3-Methyl-5-nitro-3H-imidazole-4-carboxylic acid methyl ester|1H-Imidazole-5-carboxylic acid, 1-methyl-4-nitro-, methyl ester|Methyl1-methyl-4-nitro-1H-imidazole-5-carboxylate|Methyl 1-methyl-4-nitro-1H-imidazole-5-carboxylate #|1H-Imidazole-5-carboxylic acid,1-methyl-4-nitro-,methyl ester|Imidazole-5-carboxylic acid, 1-methyl-4-nitro-, methyl ester

CAS: 89946-67-8
Molecular Formula C6H7N3O4
Molecular Weight 185.04366 g/mol
LogP 0.4
Topological Polar Surface Area 89.9 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 2
Exact Mass 185.04366
Monoisotopic Mass 185.04366
Heavy Atoms 13
Complexity 226.0

Chemical Identifiers

CAS Number 89946-67-8
SMILES CN1C=NC(=C1C(=O)OC)[N+](=O)[O-]
InChIKey GMPRHTFNNVPEQS-UHFFFAOYSA-N

Product Overview

1H-Imidazole-5-carboxylic acid, 1-methyl-4-nitro-, methyl ester (CAS 89946-67-8), with molecular formula C6H7N3O4 and molecular weight 185.04366 g/mol. IUPAC: methyl 3-methyl-5-nitroimidazole-4-carboxylate.

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