Basic information
- CAS
18896-73-6- Standard SMILES
CCOP(=O)(OCC)/C(C#N)=C\c1ccccc1- InChIKey
SEZSXMSQCRWUAS-RAXLEYEMSA-N- Molecular formula
- C13H16NO3P
- Average molar mass
- 265.24 g/mol
- Monoisotopic mass
- 265.08678037
Names & identifiers
- Preferred name
- 3-Phenylpropenenitrile, 2-(diethoxyphosphinyl)-
- IUPAC
- (Z)-2-diethoxyphosphoryl-3-phenylprop-2-enenitrile
Names & synonyms
NSC133826NSC-133826SEZSXMSQCRWUAS-RAXLEYEMSA-N3-Phenylpropenenitrile, 2-(diethoxyphosphinyl)-Diethyl (Z)-1-cyano-2-phenylethenylphosphonate #
Database identifiers
- CAS
18896-73-6- PubChem CID
- 5367708
- Nikkaji
- J2.416.781J、J302.991C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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