4-Hydroxy-4-methyl-1-phenylpyrazolidin-3-one
Basic information
- CAS
77777-68-5- Standard SMILES
CC1(O)CN(c2ccccc2)NC1=O- InChIKey
QYKXKAOLWMZSDQ-UHFFFAOYSA-N- Molecular formula
- C10H12N2O2
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.08987763
Names & identifiers
- Preferred name
- 4-Hydroxy-4-methyl-1-phenylpyrazolidin-3-one
- IUPAC
- 4-hydroxy-4-methyl-1-phenylpyrazolidin-3-one
Names & synonyms
4-Hydroxy-4-methyl-1-phenylpyrazolidin-3-one77777-68-5SCHEMBL7975058DTXSID40545400
Database identifiers
- CAS
77777-68-5- PubChem CID
- 13628508
- DTXSID
DTXSID40545400
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 238
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Compound notes
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