Basic information
- CAS
16053-71-7- Standard SMILES
Cc1c2c(cc3ccccc13)-c1ccccc1C(O)C2O- InChIKey
ZIRSFJVDQYTAEK-UHFFFAOYSA-N- Molecular formula
- C19H16O2
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.11502975
Names & identifiers
- Preferred name
- 5,6-Dihydro-5,6-dihydroxy-7-methylbenz(a)anthracene
- IUPAC
- 7-methyl-5,6-dihydrobenzo[a]anthracene-5,6-diol
- English name
- 5,6-Dihydro-7-methylbenz[a]anthracene-5,6-diol
- Molecular formula
- C19H16O2
- Molecular weight
- 276.33
Names & synonyms
5,6-Dihydro-5,6-dihydroxy-7-methylbenz(a)anthracene966-39-2trans-7-Methylbenz(a)anthracene-5,6-dihydrodiol5,6-Dihydroxy-5,6-dihydro-7-methylbenz(a)anthraceneBENZ(a)ANTHRACENE, 5,6-DIHYDRO-5,6-DIHYDROXY-7-METHYL-16053-71-7Benz[a]anthracene-5,6-diol, 5,6-dihydro-7-methyl-Benz(a)anthracene-5,6-diol, 5,6-dihydro-7-methyl-NSC 1714357-methyl-5,6-dihydrotetraphene-5,6-diolNSC171435cis-5,6-Dihydro-5,6-dihydroxy-7-methylbenz(a)anthracene
Show more names
5,6-Dihydro-7-methylbenz[a]anthracene-5,6-diol5,6-Dihydro-5,6-dihydroxy-7-methylbenz[a]anthracene3,4-Dihydro-3,4-dihydroxy-10-methyl-1,2-benzanthracen
Benz(a)anthracene, 5,6-dihydro-5,6-dihydroxy-7-methyl-, (E)-Benz(a)anthracene, 5,6-dihydro-5,6-dihydroxy-7-methyl-, (Z)-DTXSID20914433ZIRSFJVDQYTAEK-UHFFFAOYSA-N5,6-dihydro-7-methylbenz[a]anthraceneNSC-17143517563-15-4Benz[a]anthracene-5, 5,6-dihydro-7-methyl-
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Melting point
- 194 · 194-195 °C
- Boiling point
- 509.016 · 509.016±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.313 · 1.313±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.445 · 13.445±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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