Basic information
- CAS
313-74-6- Standard SMILES
Cc1cccc2ccc3cc4ccccc4c(C)c3c12- InChIKey
XDOAGYHDDFESMV-UHFFFAOYSA-N- Molecular formula
- C20H16
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12520051
Names & identifiers
- Preferred name
- BENZ(a)ANTHRACENE, 1,12-DIMETHYL-
- IUPAC
- 1,12-dimethylbenzo[a]anthracene
- English name
- 1,12-Dimethylbenz[a]anthracene
- Molecular formula
- C20H16
- Molecular weight
- 256.34
Names & synonyms
1,12-Dimethylbenz(a)anthracene1,12-Dimethylbenz[a]anthraceneBENZ(a)ANTHRACENE, 1,12-DIMETHYL-1',9-Dimethyl-1,2-benzanthraceneBenz[a]anthracene, 1,12-dimethyl-313-74-6BRN 18759411,12-DIMETHYLTETRAPHENESCHEMBL3342798SCHEMBL31092873DTXSID20185222XDOAGYHDDFESMV-UHFFFAOYSA-N
Show more names
Benz[b]anthracene, 7,12-dimethyl1,12-Dimethylbenzo[a]anthracene #
Database identifiers
- CAS
313-74-6- PubChem CID
- 9407
- DTXSID
DTXSID20185222- Nikkaji
- J35.531C
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Melting point
- 132 °C · 132°C
- Boiling point
- 466.58 °C · 466.58°C (rough estimate)
- Density
- 1.084 · 1.0840 (estimate)
- refractive index
- 1.729 · 1.7290 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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