Basic information
- Standard SMILES
CCOP(=O)(CCC(C)=O)OCC- InChIKey
JTQRTGRGGCXPMU-UHFFFAOYSA-N- Molecular formula
- C8H17O4P
- Average molar mass
- 208.19 g/mol
- Monoisotopic mass
- 208.08644565
Names & identifiers
- Preferred name
- Diethyl (3-oxobutyl)phosphonate
- IUPAC
- 4-diethoxyphosphorylbutan-2-one
- English name
- 3-Oxobutylphosphonic acid diethyl ester
- Molecular formula
- C8H17O4P
- Molecular weight
- 208.19
Names & synonyms
DIETHYL (3-OXOBUTYL)PHOSPHONATE1067-90-9DTXSID90147736RefChem:337672DTXCID60702273-oxobutylphosphonic acid diethyl ester4-diethoxyphosphorylbutan-2-onediethyl 3-oxobutylphosphonatediethyl 3-oxo-butylphosphonateSCHEMBL2991834JTQRTGRGGCXPMU-UHFFFAOYSA-N(3-Oxobutyl)phosphonic acid diethyl ester
Show more names
Phosphonic acid, P-(3-oxobutyl)-, diethyl ester
Database identifiers
- CAS
1067-90-9- PubChem CID
- 14033
- DTXSID
DTXSID90147736- Nikkaji
- J374.892H
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 105 · 105-107 °C(Press: 0.3 Torr)
- Density
- 1.0833 g/cm3 · 1.0833 g/cm3
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
上海腾渤医药科技有限公司021-54338626 18017892860 · [email protected]
Related reactions
13 records
Linked notes
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