3-Methylpyridin-4(3H)-one
Basic information
- CAS
953018-22-9- Standard SMILES
CC1C=NC=CC1=O- InChIKey
VYFUTXVIRDTWSK-UHFFFAOYSA-N- Molecular formula
- C6H7NO
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.05276385
Names & identifiers
- Preferred name
- 3-Methylpyridin-4(3H)-one
- IUPAC
- 3-methyl-3H-pyridin-4-one
Names & synonyms
3-Methylpyridin-4(3H)-one953018-22-9SCHEMBL2239845DTXSID80719360
Database identifiers
- CAS
953018-22-9- PubChem CID
- 56972304
- DTXSID
DTXSID80719360
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 158
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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