Antipyrinyl-4-peroxide
Basic information
- CAS
69124-27-2- Standard SMILES
Cc1c(OO)c(=O)n(-c2ccccc2)n1C- InChIKey
PRHVTMZSBSBTNG-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.08479225
Overview
decomposition product of sulpyrine; structure in first source
Names & identifiers
- Preferred name
- Antipyrinyl-4-peroxide
- IUPAC
- 4-hydroperoxy-1,5-dimethyl-2-phenylpyrazol-3-one
- English name
- antipyrinyl-4-peroxide
- Molecular formula
- C11H12N2O3
- Molecular weight
- 220.22458
Names & synonyms
Antipyrinyl-4-peroxide69124-27-2DTXSID802191933H-Pyrazol-3-one, 1,2-dihydro-4-hydroperoxy-1,5-dimethyl-2-phenyl-RefChem:113240DTXCID001416844-hydroperoxy-1,5-dimethyl-2-phenylpyrazol-3-one4-Hydroperoxy-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-oneAntipyrine-4-PeroxideAntipyrine Impurity 6
Database identifiers
- CAS
69124-27-2- PubChem CID
- 155200
- DTXSID
DTXSID80219193
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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