Benz(a)anthracene, 7,12-dimethoxy-
Basic information
- CAS
16354-53-3- Standard SMILES
COc1c2ccccc2c(OC)c2c1ccc1ccccc12- InChIKey
PTYJZLYGAHHXDM-UHFFFAOYSA-N- Molecular formula
- C20H16O2
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.11502975
Names & identifiers
- Preferred name
- Benz(a)anthracene, 7,12-dimethoxy-
- IUPAC
- 7,12-dimethoxybenzo[a]anthracene
- English name
- 7,12-Dimethoxybenz[a]anthracene
- Molecular formula
- C20H16O2
- Molecular weight
- 288.34
Names & synonyms
Benz(a)anthracene, 7,12-dimethoxy-7,12-Dimethoxybenz(a)anthracene16354-53-3BRN 33905517,12-Dimethoxybenz[a]anthraceneDTXSID501676124-06-00-07000 (Beilstein Handbook Reference)RefChem:117063DTXCID7090103PTYJZLYGAHHXDM-UHFFFAOYSA-N7,12-dimethoxybenzo[a]anthracene7,12-dimethoxytetraphene
Show more names
Benz[a]anthracene, 7,12-dimethoxy-
SCHEMBL30661083
Database identifiers
- CAS
16354-53-3- PubChem CID
- 85375
- DTXSID
DTXSID50167612- Nikkaji
- J35.530E
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Melting point
- 137 · 137-138 °C
- Boiling point
- 390.57 °C · 390.57°C (rough estimate)
- Density
- 1.0992 · 1.0992 (rough estimate)
- refractive index
- 1.62 · 1.6200 (estimate)
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Related reactions
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Compound notes
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