Basic information
- CAS
114077-07-5- Standard SMILES
CON=C1C=NN(C)C1=O- InChIKey
WTSHDXGKKPRLRO-UHFFFAOYSA-N- Molecular formula
- C5H7N3O2
- Average molar mass
- 141.13 g/mol
- Monoisotopic mass
- 141.05382648
Names & identifiers
- Preferred name
- 1-Methyl-1H-pyrazole-4,5-dione 4-(O-methyloxime)
- IUPAC
- 4-methoxyimino-2-methylpyrazol-3-one
Names & synonyms
DTXSID7012398251-Methyl-1H-pyrazole-4,5-dione 4-(O-methyloxime)4-(Methoxyimino)-2-methyl-2,4-dihydro-3H-pyrazol-3-one114077-07-5
Database identifiers
- CAS
114077-07-5- PubChem CID
- 85549459
- DTXSID
DTXSID701239825
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 209
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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