Phosphonic acid, (cyanomethyl)-, dibutyl ester
Basic information
- CAS
7549-58-8- Standard SMILES
CCCCOP(=O)(CC#N)OCCCC- InChIKey
ZYNRYCAGYPJKAZ-UHFFFAOYSA-N- Molecular formula
- C10H20NO3P
- Average molar mass
- 233.24 g/mol
- Monoisotopic mass
- 233.1180805
Names & identifiers
- Preferred name
- Phosphonic acid, (cyanomethyl)-, dibutyl ester
- IUPAC
- 2-dibutoxyphosphorylacetonitrile
Names & synonyms
7549-58-8Phosphonic acid, (cyanomethyl)-, dibutyl esterDibutyl (cyanomethyl)phosphonateSCHEMBL15318997DTXSID90367912
Database identifiers
- CAS
7549-58-8- PubChem CID
- 2304643
- DTXSID
DTXSID90367912
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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