Basic information
- CAS
16354-47-5- Standard SMILES
COc1c2ccccc2c(C)c2c1ccc1ccccc12- InChIKey
NYOGCOVCKPOSCX-UHFFFAOYSA-N- Molecular formula
- C20H16O
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.12011513
Names & identifiers
- Preferred name
- 7-Methoxy-12-methylbenz(a)anthracene
- IUPAC
- 7-methoxy-12-methylbenzo[a]anthracene
- English name
- 7-Methoxy-12-methylbenz[a]anthracene
- Molecular formula
- C20H16O
- Molecular weight
- 272.34
Names & synonyms
16354-47-57-Methoxy-12-methylbenz(a)anthracene7-Methoxy-12-methylbenz[a]anthracene7-methoxy-12-methyltetraphene7-methoxy-12-methylbenzo[a]anthraceneBRN 3098417Benz(a)anthracene, 7-methoxy-12-methyl-DTXSID00936835Benz[a]anthracene, 7-methoxy-12-methyl-
Database identifiers
- CAS
16354-47-5- PubChem CID
- 85371
- DTXSID
DTXSID00936835- Nikkaji
- J35.560G
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Boiling point
- 375.4 °C · 375.4°C (rough estimate)
- Density
- 1.0523 · 1.0523 (rough estimate)
- refractive index
- 1.67 · 1.6700 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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