1-Hydroxy-3-methyl-4-nitroso-2-oxido-5-phenylpyrazol-2-ium
Basic information
- CAS
16917-82-1- Standard SMILES
Cc1c(N=O)c(-c2ccccc2)n(O)[n+]1[O-]- InChIKey
IAFPKBVYSDQJPS-UHFFFAOYSA-N- Molecular formula
- C10H9N3O3
- Average molar mass
- 219.2 g/mol
- Monoisotopic mass
- 219.06439116
Names & identifiers
- Preferred name
- 1-Hydroxy-3-methyl-4-nitroso-2-oxido-5-phenylpyrazol-2-ium
- IUPAC
- 1-hydroxy-3-methyl-4-nitroso-2-oxido-5-phenylpyrazol-2-ium
Names & synonyms
MLS00311518016917-82-1NSC236247CHEMBL2133874DTXSID30311030NSC-236247SMR0018307633-Methyl-4-nitroso-2-oxo-5-phenyl-1H-2lambda~5~-pyrazol-1-ol
Database identifiers
- CAS
16917-82-1- PubChem CID
- 314949
- DTXSID
DTXSID30311030- ChEMBL
CHEMBL2133874
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 80.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
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Compound notes
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