Basic information
- CAS
16277-49-9- Standard SMILES
COc1cccc2c1ccc1c(C)c3ccccc3c(C)c12- InChIKey
LJLLJQAPUIVZJF-UHFFFAOYSA-N- Molecular formula
- C21H18O
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.13576519
Names & identifiers
- Preferred name
- 4-Methoxy-7,12-dimethylbenz(a)anthracene
- IUPAC
- 4-methoxy-7,12-dimethylbenzo[a]anthracene
- English name
- 4-methoxy-7,12-dimethylbenz(a)anthracene
- Molecular formula
- C21H18O
- Molecular weight
- 286.37
Names & synonyms
4-Methoxy-7,12-dimethylbenz(a)anthracene4-Methoxy-dmba16277-49-9DTXSID50167470RefChem:99607DTXCID2089961Benz(a)anthracene, 7,12-dimethyl-4-methoxy-Benz(a)anthracene, 4-methoxy-7,12-dimethyl-4-METHOXY-7,12-DIMETHYLTETRAPHENEBenz[a]anthracene, 4-methoxy-7,12-dimethyl-
Database identifiers
- CAS
16277-49-9- PubChem CID
- 152138
- DTXSID
DTXSID50167470
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Boiling point
- 388.73 °C · 388.73°C (rough estimate)
- Density
- 1.0402 · 1.0402 (rough estimate)
- refractive index
- 1.488 · 1.4880 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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