BENZ(a)ANTHRACENE, 8-METHOXY-7-METHYL-
Basic information
- CAS
63020-61-1- Standard SMILES
COc1cccc2cc3c(ccc4ccccc43)c(C)c12- InChIKey
KLTNCIFNUYQMON-UHFFFAOYSA-N- Molecular formula
- C20H16O
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.12011513
Names & identifiers
- Preferred name
- BENZ(a)ANTHRACENE, 8-METHOXY-7-METHYL-
- IUPAC
- 8-methoxy-7-methylbenzo[a]anthracene
- English name
- 8-Methoxy-7-methylbenz[a]anthracene
- Molecular formula
- C20H16O
- Molecular weight
- 272.34
Names & synonyms
63020-61-18-Methoxy-7-methylbenz[a]anthraceneBENZ(a)ANTHRACENE, 8-METHOXY-7-METHYL-8-Methoxy-7-methylbenz(a)anthraceneBRN 31405418-methoxy-7-methyltetraphene5-Methoxy-10-methyl-1,2-benzanthracene3-06-00-03736 (Beilstein Handbook Reference)DTXSID30212295DB-296899Benz[a]anthracene, 8-methoxy-7-methyl-
Database identifiers
- CAS
63020-61-1- PubChem CID
- 44317
- DTXSID
DTXSID30212295- Nikkaji
- J73.189G
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
- Melting point
- 131 · 131-132.2 °C
- Boiling point
- 375.4 °C · 375.4°C (rough estimate)
- Density
- 1.0523 · 1.0523 (rough estimate)
- refractive index
- 1.67 · 1.6700 (estimate)
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Related reactions
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Compound notes
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