Basic information
- CAS
32249-79-9- Standard SMILES
CC1=Cc2cc(C)c(C)cc2C(=O)C1=O- InChIKey
CFFIUMWXPHMNSK-UHFFFAOYSA-N- Molecular formula
- C13H12O2
- Average molar mass
- 200.23 g/mol
Names & identifiers
- Preferred name
- 3,6,7-Trimethylnaphthalene-1,2-dione
- IUPAC
- 3,6,7-trimethylnaphthalene-1,2-dione
- English name
- 1,2-Naphthoquinone, 3,6,7-trimethyl- (8CI)
- Molecular formula
- C13H12O2
- Molecular weight
- 200.23
Names & synonyms
32249-79-93,6,7-Trimethylnaphthalene-1,2-dioneDB-2787631,2-NAPHTHOQUINONE, 3,6,7-TRIMETHYL-1,2-Naphthalenedione, 3,6,7-trimethyl-1,2-Naphthoquinone, 3,6,7-trimethyl- (8CI)
Database identifiers
- CAS
32249-79-9
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 358.5 · 358.5±42.0 °C(Predicted)
- Density
- 1.156 · 1.156±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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