Basic information
- CAS
6312-03-4- Standard SMILES
CCC(=O)C(c1ccccn1)C(C)C- InChIKey
QBRZWEWJWJOFSO-UHFFFAOYSA-N- Molecular formula
- C12H17NO
- Average molar mass
- 191.27 g/mol
- Monoisotopic mass
- 191.13101417
Names & identifiers
- Preferred name
- 5-Methyl-4-(pyridin-2-yl)hexan-3-one
- IUPAC
- 5-methyl-4-pyridin-2-ylhexan-3-one
Names & synonyms
6312-03-45-methyl-4-(pyridin-2-yl)hexan-3-oneNSC42660DTXSID30285707NSC-426605-methyl-4-pyridin-2-yl-hexan-3-oneDS-005743
Database identifiers
- CAS
6312-03-4- PubChem CID
- 238331
- DTXSID
DTXSID30285707
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 189
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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