Basic information
- Standard SMILES
COC(=O)C=C(C)c1ccc(CC(C)=O)cc1- InChIKey
ZHXMTTUVGCACOX-UHFFFAOYSA-N- Molecular formula
- C14H16O3
- Average molar mass
- 232.27 g/mol
Names & identifiers
- Preferred name
- 1-[4-(2-Carbomethoxy-1-methylethenyl)phenyl]propan-2-one
- IUPAC
- methyl 3-[4-(2-oxopropyl)phenyl]but-2-enoate
Names & synonyms
SCHEMBL8880112ZHXMTTUVGCACOX-UHFFFAOYSA-N1-[4-(2-carbomethoxy-1-methyl-ethenyl)phenyl]propan-2-one1-[4-(2-carbomethoxy-1-methylethenyl)phenyl]-propan-2-one1-[4-(2-carbomethoxy-1-methylethenyl)phenyl]propan-2-one1-[4-(2-carbomethoxy-1-methylethenyl) phenyl]-propan-2-one
Database identifiers
- PubChem CID
- 54548003
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 309
Related reactions
20 records
Compound notes
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