Methyl 4-cyano-1H-imidazole-5-carboxylate structure

Methyl 4-cyano-1H-imidazole-5-carboxylate

methyl 4-cyano-1H-imidazole-5-carboxylate

Also Known As: Methyl 4-cyano-1H-imidazole-5-carboxylate|methyl 5-cyano-1H-imidazole-4-carboxylate|ZB1089|1H-Imidazole-4-carboxylicacid,5-cyano-,methylester(9CI)|Methyl 4-cyano-1H-imidazole-5-carboxylate #|5-CYANO-1H-IMIDAZOLE-4-CARBOXYLIC ACID METHYL ESTER|Imidazole-5-carboxylic acid, 4-cyano-, methyl ester|1H-IMIDAZOLE-4-CARBOXYLIC ACID, 5-CYANO-, METHYL ESTER|1H-Imidazole-4-carboxylic acid, 5-cyano-, methyl ester (9CI)

CAS: 59253-71-3
Molecular Formula C6H5N3O2
Molecular Weight 151.03818 g/mol
LogP 0.3
Topological Polar Surface Area 78.8 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 2
Exact Mass 151.03818
Monoisotopic Mass 151.03818
Heavy Atoms 11
Complexity 207.0

Chemical Identifiers

CAS Number 59253-71-3
SMILES COC(=O)C1=C(N=CN1)C#N
InChIKey WFHXHWSOSWTZSL-UHFFFAOYSA-N

Product Overview

Methyl 4-cyano-1H-imidazole-5-carboxylate (CAS 59253-71-3), with molecular formula C6H5N3O2 and molecular weight 151.03818 g/mol. IUPAC: methyl 4-cyano-1H-imidazole-5-carboxylate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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