3-Phenyl-2-azetidinone
Basic information
- CAS
17197-57-8- Standard SMILES
O=C1NCC1c1ccccc1- InChIKey
FLYOGASEASLVLV-UHFFFAOYSA-N- Molecular formula
- C9H9NO
- Average molar mass
- 147.17 g/mol
- Monoisotopic mass
- 147.06841391
Names & identifiers
- Preferred name
- 3-Phenyl-2-azetidinone
- IUPAC
- 3-phenylazetidin-2-one
- English name
- 3-Phenylazetidin-2-one
- Molecular formula
- C9H9NO
- Molecular weight
- 147.17
Names & synonyms
3-Phenyl-2-azetidinone17197-57-82-AZETIDINONE, 3-PHENYL-RefChem:10684763-phenylazetidin-2-one3-Fenil-2-azetidinoneL 17593-Fenil-2-azetidinone [Italian]NSC 173143BRN 01206332-Azetidinone,3-phenyl-5-21-08-00053 (Beilstein Handbook Reference)
Show more names
L-1759
SCHEMBL1828312SCHEMBL14515493NSC173143AKOS006274423NSC-173143DS-012967
Database identifiers
- CAS
17197-57-8- PubChem CID
- 28389
- Nikkaji
- J54.690I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 114 · 114-116 °C
- Boiling point
- 353.8 · 353.8±31.0 °C(Predicted)
- Density
- 1.152 · 1.152±0.06 g/cm3(Predicted)
- pka
- 15.26 · 15.26±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…