Basic information
- CAS
5853-68-9- Standard SMILES
CCP1(=O)OCc2ccccc2O1- InChIKey
USAPFLLRONGKJO-UHFFFAOYSA-N- Molecular formula
- C9H11O3P
- Average molar mass
- 198.16 g/mol
- Monoisotopic mass
- 198.04458121
Names & identifiers
- Preferred name
- Phosphonic acid, ethyl-, cyclic methylene-o-phenylene ester
- IUPAC
- 2-ethyl-4H-1,3,2λ5-benzodioxaphosphinine 2-oxide
Names & synonyms
5853-68-9Phosphonic acid, ethyl-, cyclic methylene-o-phenylene esterRefChem:10951732-Ethyl-4H-1,3,2-benzodioxaphosphorin-2-oxideBRN 2523581Ethylphosphonic acid cyclic methylene-o-phenylene ester4H-1,3,2-Benzodioxaphosphorin, 2-ethyl-, 2-oxideDTXSID109740862-Ethyl-2H,4H-1,3,2lambda~5~-benzodioxaphosphinin-2-one
Database identifiers
- CAS
5853-68-9- PubChem CID
- 201375
- DTXSID
DTXSID10974086
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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