Basic information
- CAS
35281-29-9- Standard SMILES
Cc1c2c(c(C)c3ccccc13)-c1ccccc1CC2- InChIKey
OSPZOOPTBDSTQN-UHFFFAOYSA-N- Molecular formula
- C20H18
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.14085057
Names & identifiers
- Preferred name
- 5,6-Dihydro-7,12-dimethylbenz(a)anthracene
- IUPAC
- 7,12-dimethyl-5,6-dihydrobenzo[a]anthracene
- English name
- 5,6-Dihydro-7,12-dimethylbenz[a]anthracene
- Molecular formula
- C20H18
- Molecular weight
- 258.36
Names & synonyms
35281-29-9BENZ(a)ANTHRACENE, 5,6-DIHYDRO-7,12-DIMETHYL-NSC 113558BRN 2111994D3C8945ETP5,6-Dihydro-7,12-dimethylbenz(a)anthracene5,6-Dihydro-7,12-dimethyl-benz(a)anthraceneNSC-113558UNII-D3C8945ETPDTXSID701887685,6-Dihydro-7,12-dimethylbenz[a]anthraceneRefChem:198817
Show more names
7,12-dimethyl-5,6-dihydrobenzanthraceneBenz[a]anthracene, 5,6-dihydro-7,12-dimethyl-
DTXCID30111259NSC1135587,12-dimethyl-5,6-dihydrotetraphene5,12-DIMETHYLBENZ[A]ANTRACENEDS-008874Benz[a]anthracene,6-dihydro-7,12-dimethyl-5,6-Dihydro-7,12-dimethylbenz(a)-anthracene7,12-dimethyl-5,6-dihydro-benzo[b]phenanthrene
Database identifiers
- CAS
35281-29-9- PubChem CID
- 37100
- DTXSID
DTXSID70188768- UNII
- D3C8945ETP
- Nikkaji
- J35.527E
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
- Boiling point
- 336.61 °C · 336.61°C (rough estimate)
- Density
- 1.0524 · 1.0524 (estimate)
- refractive index
- 1.729 · 1.7290 (estimate)
- FDA UNII
- 3 C8945ETP · D3C8945ETP
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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