Basic information
- Standard SMILES
N#CCCOP(=O)([O-])[O-]- InChIKey
NJDPBWLDVFCXNP-UHFFFAOYSA-L- Molecular formula
- C3H4NO4P-2
- Average molar mass
- 149.04 g/mol
Names & identifiers
- Preferred name
- beta-Cyanoethyl phosphate
- IUPAC
- 2-cyanoethyl phosphate
Names & synonyms
2-cyanoethylphosphatebeta-cyanoethyl phosphateNJDPBWLDVFCXNP-UHFFFAOYSA-LAKOS005438124
Database identifiers
- PubChem CID
- 4064087
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- -2
- Complexity
- 152
Related reactions
25 records
Compound notes
Loading…