Dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate
Basic information
- CAS
31503-77-2- Standard SMILES
COP(=O)(OC)C1C2CC3C(C2)C31- InChIKey
LNJZOUNKFXDNDY-UHFFFAOYSA-N- Molecular formula
- C9H15O3P
- Average molar mass
- 202.19 g/mol
- Monoisotopic mass
- 202.07588133
Names & identifiers
- Preferred name
- Dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonate
- IUPAC
- 3-dimethoxyphosphoryltricyclo[2.2.1.02,6]heptane
- English name
- Tricyclo[2.2.1.02,6]heptan-3-ylphosphonic acid dimethyl ester
- Molecular formula
- C9H15O3P
- Molecular weight
- 202.19
Names & synonyms
31503-77-2dimethyl tricyclo[2.2.1.02,6]hept-3-ylphosphonateNSC138988DTXSID70300786Tricyclo[2.2.1.02,6]heptan-3-ylphosphonic acid dimethyl esterNSC-138988Phosphonic acid,6]hept-3-yl-, dimethyl esterDimethyl tricyclo[2.2.1.0~2,6~]heptan-3-ylphosphonatePhosphonic acid, tricyclo[2.2.1.02,6]hept-3-yl-, dimethyl ester (8CI)
Database identifiers
- CAS
31503-77-2- PubChem CID
- 283787
- DTXSID
DTXSID70300786- Nikkaji
- J143.007F
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 279.4 · 279.4±7.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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