7-Methoxybenz[a]anthracene
Basic information
- CAS
6366-20-7- Standard SMILES
COc1c2ccccc2cc2c1ccc1ccccc12- InChIKey
HJZXAMRDNRIFQW-UHFFFAOYSA-N- Molecular formula
- C19H14O
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.10446507
Names & identifiers
- Preferred name
- 7-Methoxybenz[a]anthracene
- IUPAC
- 7-methoxybenzo[a]anthracene
- English name
- 7-Methoxybenz[a]anthracene
- Molecular formula
- C19H14O
- Molecular weight
- 258.31
Names & synonyms
7-Methoxybenz[a]anthraceneBenz(a)anthracene, 7-methoxy-10-Methoxy-1,2-benzanthracene6366-20-77-Methoxybenz(a)anthracene7-methoxytetrapheneBRN 19776903-06-00-03727 (Beilstein Handbook Reference)DTXSID60979884HJZXAMRDNRIFQW-UHFFFAOYSA-N7-methoxybenzo[a]anthraceneBenz[a]anthracene, 7-methoxy-
Database identifiers
- CAS
6366-20-7- PubChem CID
- 80724
- DTXSID
DTXSID60979884- Nikkaji
- J35.558E
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 104 °C · 104 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 361.57 °C · 361.57°C (rough estimate)
- Density
- 1.0651 · 1.0651 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
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Compound notes
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