Basic information
- CAS
2212-88-6- Standard SMILES
N#CCCOP(=O)(O)O- InChIKey
NJDPBWLDVFCXNP-UHFFFAOYSA-N- Molecular formula
- C3H6NO4P
- Average molar mass
- 151.06 g/mol
- Monoisotopic mass
- 151.0034443
Names & identifiers
- Preferred name
- 2-Cyanoethyl dihydrogen phosphate
- IUPAC
- 2-cyanoethyl dihydrogen phosphate
Names & synonyms
2-cyanoethyl dihydrogen phosphate2212-88-6Propanenitrile,3-(phosphonooxy)-(2-cyanoethoxy)phosphonic acidNSC226247starbld00080112-cyanoethylphosphoric acidSCHEMBL22652DTXSID70275763NJDPBWLDVFCXNP-UHFFFAOYSA-N2-cyano-ethyl dihydrogen phosphateNSC 226247
Show more names
NSC-226247EN300-7612066
Database identifiers
- CAS
2212-88-6- PubChem CID
- 78715
- DTXSID
DTXSID70275763- Nikkaji
- J301.824E
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 164
Related reactions
2 records
Compound notes
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