3-Benzoyloxolan-2-one
Basic information
- CAS
21034-21-9- Standard SMILES
O=C1OCCC1C(=O)c1ccccc1- InChIKey
RMBQKTUTSBSOPP-UHFFFAOYSA-N- Molecular formula
- C11H10O3
- Average molar mass
- 190.19 g/mol
- Monoisotopic mass
- 190.06299418
Names & identifiers
- Preferred name
- 3-Benzoyloxolan-2-one
- IUPAC
- 3-benzoyloxolan-2-one
- English name
- 3-benzoyloxolan-2-one
- Molecular formula
- C11H10O3
- Molecular weight
- 190.2
Names & synonyms
3-benzoyloxolan-2-one21034-21-9MLS0031072023-Benzoyldihydrofuran-2(3H)-one3-Benzoyldihydro-2(3H)-furanoneNSC206598CBDivE_0107793-Benzoyl-perhydro-2-oxofuranSCHEMBL8159995SCHEMBL27830694DTXSID90308663RMBQKTUTSBSOPP-UHFFFAOYSA-N
Show more names
2(3H)-Furanone, 3-benzoyldihydro-
3-Benzoyldihydro-2(3H)-furanone #AKOS006319265NSC-206598SMR000137570
Database identifiers
- CAS
21034-21-9- PubChem CID
- 307945
- DTXSID
DTXSID90308663- Nikkaji
- J1.400.473D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 57 °C · 57 °C
- Boiling point
- 193 · 193-195 °C(Press: 8 Torr)
- Density
- 1.24 · 1.240±0.06 g/cm3(Predicted)
- pka
- 10.95 · 10.95±0.20(Predicted)
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Related reactions
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Compound notes
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