Diethyl 2-benzoyloxypropanedioate
Basic information
- CAS
73981-15-4- Standard SMILES
CCOC(=O)C(OC(=O)c1ccccc1)C(=O)OCC- InChIKey
QFYCEESIRDLDPK-UHFFFAOYSA-N- Molecular formula
- C14H16O6
- Average molar mass
- 280.27 g/mol
- Monoisotopic mass
- 280.09468823
Names & identifiers
- Preferred name
- Diethyl 2-benzoyloxypropanedioate
- IUPAC
- diethyl 2-benzoyloxypropanedioate
- English name
- diethyl 2-benzoyloxypropanedioate
- Molecular formula
- C14H16O6
- Molecular weight
- 280.27
Names & synonyms
diethyl 2-benzoyloxypropanedioate73981-15-4NSC48018Diethyl (benzoyloxy)propanedioateDTXSID60286848NSC-48018Propanedioic acid, 2-(benzoyloxy)-, 1,3-diethyl ester
Database identifiers
- CAS
73981-15-4- PubChem CID
- 240989
- DTXSID
DTXSID60286848
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Melting point
- 57 · 57-58 °C
- Boiling point
- 145 °C · 145 °C(Press: 0.5 Torr)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- pka
- 10.26 · 10.26±0.46(Predicted)
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Compound notes
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