Basic information
- CAS
124957-42-2- Standard SMILES
COC(=O)C(=Cc1ccccc1)COC(C)=O- InChIKey
BETMVIATCLCGRE-UHFFFAOYSA-N- Molecular formula
- C13H14O4
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.08920893
Names & identifiers
- Preferred name
- Methyl 2-[(acetyloxy)methyl]-3-phenylprop-2-enoate
- IUPAC
- methyl 2-(acetyloxymethyl)-3-phenylprop-2-enoate
Names & synonyms
124957-42-2Methyl 2-[(acetyloxy)methyl]-3-phenylprop-2-enoateSCHEMBL7102965DTXSID80705889BETMVIATCLCGRE-UHFFFAOYSA-Nmethyl 2-benzylidene-3-acetoxypropionate2-benzylidene-3-acetoxypropionate methyl ester
Database identifiers
- CAS
124957-42-2- PubChem CID
- 53678280
- DTXSID
DTXSID80705889
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 301
Related reactions
14 records
Compound notes
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