Benz(a)anthracene, 5-methoxy-7-methyl-
Basic information
- CAS
966-48-3- Standard SMILES
COc1cc2c(C)c3ccccc3cc2c2ccccc12- InChIKey
PRLOOJMAUMLKMS-UHFFFAOYSA-N- Molecular formula
- C20H16O
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.12011513
Names & identifiers
- Preferred name
- Benz(a)anthracene, 5-methoxy-7-methyl-
- IUPAC
- 5-methoxy-7-methylbenzo[a]anthracene
- English name
- 5-Methoxy-7-methylbenz[a]anthracene
- Molecular formula
- C20H16O
- Molecular weight
- 272.34
Names & synonyms
Benz(a)anthracene, 5-methoxy-7-methyl-5-Methoxy-7-methylbenz(a)anthracene966-48-3BRN 25638133-Methoxy-10-methyl-1,2-benzanthraceneDTXSID802423603-06-00-03735 (Beilstein Handbook Reference)Benzo[a]anthracene, 5-methoxy-7-methyl-Benzo(a)anthracene, 5-methoxy-7-methyl-RefChem:117058DTXCID80164851PRLOOJMAUMLKMS-UHFFFAOYSA-N
Show more names
5-Methoxy-7-methylbenz[a]anthraceneBenz[a]anthracene, 5-methoxy-7-methyl-methyl-(7-methyl-benz[a]anthracen-5-yl)-ether
5-methoxy-7-methyltetraphene5-Methoxy-7-methylbenzo[a]anthracene #
Database identifiers
- CAS
966-48-3- PubChem CID
- 70406
- DTXSID
DTXSID80242360- Nikkaji
- J35.559C
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
- 183 · 183-183.5 °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)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…