(3-Oxo-1-phenylpyrazolidin-4-yl)methyl acetate
Basic information
- CAS
99893-31-9- Standard SMILES
CC(=O)OCC1CN(c2ccccc2)NC1=O- InChIKey
WXQSXTVEIPZADS-UHFFFAOYSA-N- Molecular formula
- C12H14N2O3
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.10044231
Names & identifiers
- Preferred name
- (3-Oxo-1-phenylpyrazolidin-4-yl)methyl acetate
- IUPAC
- (3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate
Names & synonyms
(3-Oxo-1-phenylpyrazolidin-4-yl)methyl acetate99893-31-9DTXSID70545352
Database identifiers
- CAS
99893-31-9- PubChem CID
- 13627243
- DTXSID
DTXSID70545352
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…