Basic information
- Standard SMILES
N#CCCOP(=O)([O-])[O-].c1cc[nH+]cc1.c1cc[nH+]cc1- InChIKey
RVXUOAXLVOPXJP-UHFFFAOYSA-N- Molecular formula
- C13H16N3O4P
- Average molar mass
- 309.26 g/mol
Names & identifiers
- Preferred name
- Pyridinium cyanoethylphosphate
- IUPAC
- 2-cyanoethyl phosphate;bis(pyridin-1-ium)
Names & synonyms
pyridinium cyanoethylphosphateRVXUOAXLVOPXJP-UHFFFAOYSA-Ndipyridinium 2-cyanoethyl phosphate2-cyanoethylphosphoric acid pyridinium salt
Database identifiers
- PubChem CID
- 69780213
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 183
Related reactions
9 records
Compound notes
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