Basic information
- CAS
30016-06-9- Standard SMILES
Cc1c(C)c2cccc(C)c2[nH]c1=O- InChIKey
NHKIAUSTXQCLAC-UHFFFAOYSA-N- Molecular formula
- C12H13NO
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.09971404
Names & identifiers
- Preferred name
- 3,4,8-Trimethylquinolin-2(1h)-one
- IUPAC
- 3,4,8-trimethyl-1H-quinolin-2-one
Names & synonyms
30016-06-93,4,8-trimethylquinolin-2(1h)-oneNSC108452DTXSID40296243NSC-108452
Database identifiers
- CAS
30016-06-9- PubChem CID
- 268293
- DTXSID
DTXSID40296243
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…