Basic information
- Standard SMILES
C=CC(=O)O[C@@H](C=C)COCc1ccccc1- InChIKey
NNPSBPHBPHOFIX-ZDUSSCGKSA-N- Molecular formula
- C14H16O3
- Average molar mass
- 232.27 g/mol
Names & identifiers
- Preferred name
- 2-Propenoic acid, (1S)-1-[(phenylmethoxy)methyl]-2-propen-1-yl ester
- IUPAC
- [(2S)-1-phenylmethoxybut-3-en-2-yl] prop-2-enoate
Names & synonyms
2-Propenoic acid, (1S)-1-[(phenylmethoxy)methyl]-2-propen-1-yl ester681463-02-5(2S)-1-(benzyloxy)but-3-en-2-yl prop-2-enoateSCHEMBL6337069NNPSBPHBPHOFIX-ZDUSSCGKSA-N(S)-1-(Benzyloxy)-but-3-en-2-yl acrylate
Database identifiers
- PubChem CID
- 11368265
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Related reactions
1 records
Compound notes
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