Basic information
- CAS
67590-47-0- Standard SMILES
c1ccc(CC23COP(OC2)OC3)cc1- InChIKey
CAQZUKVTDXZWHH-UHFFFAOYSA-N- Molecular formula
- C11H13O3P
- Average molar mass
- 224.19 g/mol
- Monoisotopic mass
- 224.06023127
Names & identifiers
- Preferred name
- 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)-
- IUPAC
- 4-benzyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
Names & synonyms
BRN 22739672,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-(phenylmethyl)-67590-47-04-(Phenylmethyl)-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octaneDTXSID50217904RefChem:247892DTXCID601403954-benzyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octaneSCHEMBL10602699
Database identifiers
- CAS
67590-47-0- PubChem CID
- 3051628
- DTXSID
DTXSID50217904
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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