Benzyl 3-dimethoxyphosphoryloxybut-2-enoate
Basic information
- CAS
2703-61-9- Standard SMILES
COP(=O)(OC)OC(C)=CC(=O)OCc1ccccc1- InChIKey
GZMFAOPDGXFQBN-UHFFFAOYSA-N- Molecular formula
- C13H17O6P
- Average molar mass
- 300.24 g/mol
- Monoisotopic mass
- 300.07627526
Names & identifiers
- Preferred name
- Benzyl 3-dimethoxyphosphoryloxybut-2-enoate
- IUPAC
- benzyl 3-dimethoxyphosphoryloxybut-2-enoate
Names & synonyms
benzyl (Z)-3-dimethoxyphosphoryloxybut-2-enoateSCHEMBL11561424DTXSID801031076
Database identifiers
- CAS
2703-61-9- PubChem CID
- 17614
- DTXSID
DTXSID801031076
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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