Basic information
- CAS
60967-89-7- Standard SMILES
O[C@@H]1C=Cc2c(ccc3cc4ccccc4cc23)[C@H]1O- InChIKey
KUBYVPFVNKJERF-QZTJIDSGSA-N- Molecular formula
- C18H14O2
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.09937969
Names & identifiers
- Preferred name
- trans-3,4-Dihydro-3,4-dihydroxybenz(a)anthracene
- IUPAC
- (3R,4R)-3,4-dihydrobenzo[a]anthracene-3,4-diol
- English name
- (3R)-3,4-Dihydrobenzo[a]anthracene-3β,4α-diol
- Molecular formula
- C18H14O2
- Molecular weight
- 262.3
Names & synonyms
trans-3,4-Dihydro-3,4-dihydroxybenz(a)anthracene60967-89-7(+/-)-trans-Benz(a)anthracene-3,4-dihydrodioltrans-3,4-Dihydroxy-3,4-dihydrobenz(a)anthracene64501-86-6Benz(a)anthracene-3,4-dihydrodiolCCRIS 775BA 3,4-Dihydrodioltrans-3,4-dihydroxy-3,4-dihydrobenz[a]anthracene(+/-)-TRANS-BENZ[A]ANTHRACENE-3,4-DIHYDRODIOLBRN 4692239(-)(3R,4R)-trans-Benz(a)anthracene-3,4-diol
Show more names
(3R)-3,4-Dihydrobenzo[a]anthracene-3β,4α-diol[3R,(-)]-3,4-Dihydrobenz[a]anthracene-3β,4α-diolBenz[a]anthracene-3,4-diol, 3,4-dihydro-, (3R,4R)-Benz(A)anthracene, 3,4-dihydro-3,4-dihydroxy-, (E)-(-)-, (3R,4R)
trans-3,4-Dihydro-3,4-dihydroxybenzo(a)anthracenetrans-3,4-Dihydroxy-3,4-dihydrobenzo(a)anthracenetrans-(+-)-3,4-Dihydrobenz(a)anthracene-3,4-diol(-)(3R,4R)-trans-3,4-Dihydro-3,4-dihydroxybenz(a)anthracene(-)(3R,4R)trans-3,4-Dihydro-3,4-dihydroxybenzo(a)anthraceneBENZ(a)ANTHRACENE, 3,4-DIHYDRO-3,4-DIHYDROXY-, (E)-BENZ(a)ANTHRACENE-3,4-DIOL, 3,4-DIHYDRO-, trans-(+-)-(+-)-trans-Benz(a)anthracene-3,4-dihydrodiol
Database identifiers
- CAS
60967-89-7、64501-86-6、67335-42-6- PubChem CID
- 43510
- DTXSID
DTXSID701031435- Nikkaji
- J73.227C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Boiling point
- 377.26 °C · 377.26°C (rough estimate)
- Density
- 1.2125 · 1.2125 (rough estimate)
- refractive index
- 1.549 · 1.5490 (estimate)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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