Basic information
- CAS
135257-92-0- Standard SMILES
CC1(C)C(=O)NN=C1[O-]- InChIKey
PGBXZDDHDXRVAV-UHFFFAOYSA-M- Molecular formula
- C5H7N2O2-
- Average molar mass
- 127.12 g/mol
- Monoisotopic mass
- 127.05075247
Names & identifiers
- Preferred name
- 3,5-Pyrazolidinedione, 4,4-dimethyl-, ion(1-)
- IUPAC
- 4,4-dimethyl-5-oxo-1H-pyrazol-3-olate
Names & synonyms
135257-92-03,5-Pyrazolidinedione, 4,4-dimethyl-, ion(1-)DTXSID509289275-Hydroxy-4,4-dimethyl-4H-pyrazol-3-olate5-Hydroxy-4,4-dimethyl-4H-pyrazol-3-olatato
Database identifiers
- CAS
135257-92-0- PubChem CID
- 178245
- DTXSID
DTXSID50928927
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- -1
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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