Basic information
- CAS
27591-74-8- Standard SMILES
CCOP(=O)(OCC)OC(C)=CC(=O)OC(C)c1ccccc1- InChIKey
XBMYITJFLVDXEE-UHFFFAOYSA-N- Molecular formula
- C16H23O6P
- Average molar mass
- 342.32 g/mol
- Monoisotopic mass
- 342.12322545
Names & identifiers
- Preferred name
- 1-Phenylethyl 3-diethoxyphosphoryloxybut-2-enoate
- IUPAC
- 1-phenylethyl 3-diethoxyphosphoryloxybut-2-enoate
Names & synonyms
DTXSID701031097
Database identifiers
- CAS
27591-74-8- PubChem CID
- 33959
- DTXSID
DTXSID701031097
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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