Basic information
- CAS
67590-48-1- Standard SMILES
O=P12OCC(Cc3ccccc3)(CO1)CO2- InChIKey
PPJYLEJGKOIOGY-UHFFFAOYSA-N- Molecular formula
- C11H13O4P
- Average molar mass
- 240.19 g/mol
- Monoisotopic mass
- 240.05514589
Names & identifiers
- Preferred name
- 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)-, 1-oxide
- IUPAC
- 4-benzyl-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octane 1-oxide
Names & synonyms
BRN 22765162,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)-, 1-oxide67590-48-1DTXSID102179054-(Phenylmethyl)-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane 1-oxideRefChem:247893DTXCID20140396SCHEMBL8128774-Benzyl-2,6,7-trioxa-1lambda~5~-phosphabicyclo[2.2.2]octan-1-one
Database identifiers
- CAS
67590-48-1- PubChem CID
- 3051629
- DTXSID
DTXSID10217905
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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