Basic information
- CAS
24891-41-6- Standard SMILES
Cc1ccc2c(C)c3c(ccc4ccccc43)c(C)c2c1- InChIKey
SIMOYBMZOXLETF-UHFFFAOYSA-N- Molecular formula
- C21H18
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.14085057
Names & identifiers
- Preferred name
- Benz(a)anthracene, 7,9,12-trimethyl-
- IUPAC
- 7,9,12-trimethylbenzo[a]anthracene
- English name
- 7,9,12-Trimethylbenz[a]anthracene
- Molecular formula
- C21H18
- Molecular weight
- 270.37
Names & synonyms
Benz(a)anthracene, 7,9,12-trimethyl-6,9,12-Trimethyl-1,2-benzanthraceneBRN 32963537,9,12-TMBA7,9,12-Trimethylbenz(a)anthracene24891-41-67,9,12-Trimethylbenz[a]anthraceneDTXSID301795964-05-00-02599 (Beilstein Handbook Reference)RefChem:117064DTXCID90102087SIMOYBMZOXLETF-UHFFFAOYSA-N
Show more names
Benz[a]anthracene, 7,9,12-trimethyl-
7,9,12-TRIMETHYLTETRAPHENE
Database identifiers
- CAS
24891-41-6- PubChem CID
- 90643
- DTXSID
DTXSID30179596- Nikkaji
- J35.580A
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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