Benz(a)anthracene, 6,7,12-trimethyl-
Basic information
- CAS
20627-33-2- Standard SMILES
Cc1cc2ccccc2c2c(C)c3ccccc3c(C)c12- InChIKey
RYVZUDDFLHMAMI-UHFFFAOYSA-N- Molecular formula
- C21H18
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.14085057
Names & identifiers
- Preferred name
- Benz(a)anthracene, 6,7,12-trimethyl-
- IUPAC
- 6,7,12-trimethylbenzo[a]anthracene
- English name
- 6,7,12-Trimethylbenz[a]anthracene
- Molecular formula
- C21H18
- Molecular weight
- 270.37
Names & synonyms
Benz(a)anthracene, 6,7,12-trimethyl-4,9,10-Trimethyl-1,2-benzanthracene20627-33-26,7,12-Trimethylbenz(a)anthracene6,7,12-Trimethylbenz[a]anthracene6,7,12-trimethyltetrapheneBRN 1971873DTXSID40942819RYVZUDDFLHMAMI-UHFFFAOYSA-NBenz[a]anthracene, 6,7,12-trimethyl-
Database identifiers
- CAS
20627-33-2- PubChem CID
- 88622
- DTXSID
DTXSID40942819- Nikkaji
- J35.577A
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- Boiling point
- 480.48 °C · 480.48°C (rough estimate)
- Density
- 1.0691 · 1.0691 (estimate)
- refractive index
- 1.712 · 1.7120 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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