2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI)
Basic information
- CAS
326-12-5- Standard SMILES
COP(=O)(OC)OC(C)=CC(=O)OC(C)c1ccccc1- InChIKey
XXXSILNSXNPGKG-UHFFFAOYSA-N- Molecular formula
- C14H19O6P
- Average molar mass
- 314.27 g/mol
- Monoisotopic mass
- 314.09192532
Names & identifiers
- Preferred name
- 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI)
- IUPAC
- 1-phenylethyl 3-dimethoxyphosphoryloxybut-2-enoate
Names & synonyms
1-phenylethyl 3-dimethoxyphosphoryloxybut-2-enoate2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI)29900-31-0SCHEMBL1872095DTXSID20860022DB-0561681-PHENYLETHYL 3-[(DIMETHOXYPHOSPHORYL)OXY]BUT-2-ENOATEO,O-Dimethyl O-[1-methyl-2-(1-phenylcarbethoxy)vinyl]phosphate
Database identifiers
- CAS
326-12-5- PubChem CID
- 24376
- DTXSID
DTXSID20860022
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 406
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Compound notes
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