Basic information
- CAS
56183-24-5- Standard SMILES
O[C@@H]1c2ccccc2-c2ccc3ccccc3c2[C@H]1O- InChIKey
LMNSFGGRBHRGSN-QZTJIDSGSA-N- Molecular formula
- C18H14O2
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.09937969
Names & identifiers
- Preferred name
- CHRYSENE-5,6-DIOL, 5,6-DIHYDRO-, trans-
- IUPAC
- (5R,6R)-5,6-dihydrochrysene-5,6-diol
- English name
- Chrysene-trans-5,6-dihydrodiol
- Molecular formula
- C18H14O2
- Molecular weight
- 262.3
Names & synonyms
56183-24-5CHRYSENE-5,6-DIOL, 5,6-DIHYDRO-, trans-(5R,6R)-5,6-dihydrochrysene-5,6-dioltrans-5,6-Dihydro-5,6-dihydroxychrysenetrans-Chrysene-5,6-dioltrans-5,6-Dihydroxy-5,6-dihydrochrysenetrans-5,6-Dihydrochrysene-5,6-diolCCRIS 2021Q3SS4NQD4BDTXSID602047295,6-Dihydro-5,6-chrysenediol, trans-rel-(5R,6R)-5,6-Dihydro-5,6-chrysenediol
Show more names
Chrysene-trans-5,6-dihydrodioltrans-5,6-Dihydro-5,6-chrysenediol
5,6-Chrysenediol, 5,6-dihydro-, (5R,6R)-rel-
Database identifiers
- CAS
56183-24-5- PubChem CID
- 41776
- DTXSID
DTXSID60204729- UNII
- Q3SS4NQD4B
- Nikkaji
- J410.988K
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 355
Physicochemical properties
- Boiling point
- 497.723 · 497.723±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.351 · 1.351±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.195 · 13.195±0.40(predicted)
Chemistry & industry
Suppliers3 total
CHIRON[email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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