Basic information
- CAS
4072-31-5- Standard SMILES
O=c1cc(O)n(-c2ccccc2)[nH]1- InChIKey
TUUGFLAHJMHZFV-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- 3H-Pyrazol-3-one, 1,2-dihydro-5-hydroxy-1-phenyl-
- IUPAC
- 3-hydroxy-2-phenyl-1H-pyrazol-5-one
Names & synonyms
4072-31-53H-Pyrazol-3-one, 1,2-dihydro-5-hydroxy-1-phenyl-DTXSID80354679RefChem:283241DTXCID503057395-Hydroxy-1-phenyl-1H-pyrazol-3(2H)-oneCambridge id 5102380SCHEMBL3946801SCHEMBL10715419SCHEMBL315035145-hydroxy-1-phenyl-3-pyrazolone5-Hydroxy-1-phenyl-1,2-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
4072-31-5- PubChem CID
- 778692
- DTXSID
DTXSID80354679- Nikkaji
- J1.418.881I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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