Basic information
- CAS
59463-48-8- Standard SMILES
CCOP(=O)(COCC#N)OCC- InChIKey
JKVVBLODOZKANX-UHFFFAOYSA-N- Molecular formula
- C7H14NO4P
- Average molar mass
- 207.16 g/mol
- Monoisotopic mass
- 207.06604493
Names & identifiers
- Preferred name
- Diethyl [(cyanomethoxy)methyl]phosphonate
- IUPAC
- 2-(diethoxyphosphorylmethoxy)acetonitrile
Names & synonyms
59463-48-8Diethyl [(cyanomethoxy)methyl]phosphonateDTXSID00787147
Database identifiers
- CAS
59463-48-8- PubChem CID
- 71363632
- DTXSID
DTXSID00787147
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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