Methanol, phosphinylidynetri-, cyclic phosphite
Basic information
- CAS
41097-27-2- Standard SMILES
O=P12COP(OC1)OC2- InChIKey
NBKQGJFTSPNBQA-UHFFFAOYSA-N- Molecular formula
- C3H6O4P2
- Average molar mass
- 168.02 g/mol
- Monoisotopic mass
- 167.97413266
Names & identifiers
- Preferred name
- Methanol, phosphinylidynetri-, cyclic phosphite
- IUPAC
- 2,6,7-trioxa-1,4λ5-diphosphabicyclo[2.2.2]octane 4-oxide
- English name
- 2,6,7-Trioxa-1,4-diphosphabicyclo[2.2.2]octane4-oxide
- Molecular formula
- C3H6O4P2
- Molecular weight
- 168.02
Names & synonyms
Methanol, phosphinylidynetri-, cyclic phosphite41097-27-22,6-7-Trioxa-1,4-diphosphabicyclo(2.2.2)octane 1-oxideDTXSID90194048RefChem:352518DTXCID001165392,6,7-Trioxa-1,4-diphosphabicyclo[2.2.2]octane4-oxide2,6,7-Trioxa-1,4lambda~5~-diphosphabicyclo[2.2.2]octan-4-one
Database identifiers
- CAS
41097-27-2- PubChem CID
- 218668
- DTXSID
DTXSID90194048- Nikkaji
- J49.110A
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Boiling point
- 324.9 · 324.9±32.0 °C(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…