Basic information
- CAS
27591-74-8- Standard SMILES
CCOP(=O)(OCC)O/C(C)=C\C(=O)OC(C)c1ccccc1- InChIKey
XBMYITJFLVDXEE-SEYXRHQNSA-N- Molecular formula
- C16H23O6P
- Average molar mass
- 342.32 g/mol
- Monoisotopic mass
- 342.12322545
Names & identifiers
- Preferred name
- SD 7779
- IUPAC
- 1-phenylethyl (Z)-3-diethoxyphosphoryloxybut-2-enoate
Names & synonyms
SD 7779cis-2-(1-Phenylethoxy)carbonyl-1-methylvinyl diethylphosphate27591-74-82-Butenoic acid, 3-((diethoxyphosphinyl)oxy)-, 1-phenylethyl esterCROTONIC ACID, 3-HYDROXY-, alpha-METHYLBENZYL ESTER, DIETHYL PHOSPHATERefChem:3800302-Butenoic acid, 3-((diethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI)
Database identifiers
- CAS
27591-74-8- PubChem CID
- 6434014
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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