Basic information
- CAS
65921-74-6- Standard SMILES
CCCC(=O)CP(=O)(OC)OC- InChIKey
OQXQVUGMNUESFL-UHFFFAOYSA-N- Molecular formula
- C7H15O4P
- Average molar mass
- 194.17 g/mol
- Monoisotopic mass
- 194.07079595
Names & identifiers
- Preferred name
- Phosphonic acid, (2-oxopentyl)-, dimethyl ester
- IUPAC
- 1-dimethoxyphosphorylpentan-2-one
- English name
- Phosphonic acid, (2-oxopentyl)-, dimethyl ester
- Molecular formula
- C7H15O4P
- Molecular weight
- 194.17
Names & synonyms
65921-74-6Phosphonic acid, (2-oxopentyl)-, dimethyl esterDTXSID80469691RefChem:370465DTXCID20420509dimethyl (2-oxopentyl)phosphonateSCHEMBL10826323EN300-1125629Chlordiazepoxide Impurity 51-diethoxyphosphorylhexan-2-onePhosphonic acid, P-(2-oxopentyl)-, dimethyl ester
Database identifiers
- CAS
65921-74-6- PubChem CID
- 11629756
- DTXSID
DTXSID80469691- Nikkaji
- J653.985H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Boiling point
- 263.1 · 263.1±23.0 °C(Predicted)
- Density
- 1.09 · 1.090±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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