Basic information
- Standard SMILES
COC(=O)/C(=C/c1cccc(C)c1)CC(=O)O- InChIKey
FMXLYRFKMAQCIB-YRNVUSSQSA-N- Molecular formula
- C13H14O4
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.08920892
Names & identifiers
- Preferred name
- (E)-3-Methoxycarbonyl-4-(3-methylphenyl)-3-butenoic acid
- IUPAC
- (E)-3-methoxycarbonyl-4-(3-methylphenyl)but-3-enoic acid
Names & synonyms
SCHEMBL9046968FMXLYRFKMAQCIB-YRNVUSSQSA-N(E)-3-Methoxycarbonyl-4-(3-methylphenyl)-3-butenoic acid
Database identifiers
- PubChem CID
- 19769729
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 319
Related reactions
2 records
Compound notes
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