Methyl 1-(2-phenylethenyl)imidazole-4-carboxylate
Basic information
- CAS
56382-64-0- Standard SMILES
COC(=O)c1cn(C=Cc2ccccc2)cn1- InChIKey
ICRUCYQZKCXLIV-UHFFFAOYSA-N- Molecular formula
- C13H12N2O2
- Average molar mass
- 228.25 g/mol
- Monoisotopic mass
- 228.08987763
Names & identifiers
- Preferred name
- Methyl 1-(2-phenylethenyl)imidazole-4-carboxylate
- IUPAC
- methyl 1-(2-phenylethenyl)imidazole-4-carboxylate
- English name
- 1-[(E)-2-Phenylethenyl]-1H-imidazole-4-carboxylic acid methyl ester
- Molecular formula
- C13H12N2O2
- Molecular weight
- 228.25
Names & synonyms
56382-64-0methyl 1-(2-phenylethenyl)imidazole-4-carboxylateDTXSID20304512Methyl 1-(2-phenylethen-1-yl)-1H-imidazole-4-carboxylate1-[(E)-2-Phenylethenyl]-1H-imidazole-4-carboxylic acid methyl ester1H-Imidazole-4-carboxylic acid, 1-(2-phenylethenyl)-, methyl ester, (E)- (9CI)
Database identifiers
- CAS
56382-64-0- PubChem CID
- 296198
- DTXSID
DTXSID20304512
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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