(5S,6S)-5,6-dihydroquinoline-5,6-diol
Basic information
- CAS
130536-38-8- Standard SMILES
O[C@H]1C=Cc2ncccc2[C@@H]1O- InChIKey
RXMLUIZBBRMXFQ-IUCAKERBSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.06332853
Names & identifiers
- Preferred name
- (5S,6S)-5,6-dihydroquinoline-5,6-diol
- IUPAC
- (5S,6S)-5,6-dihydroquinoline-5,6-diol
- English name
- 5,6-Quinolinediol, 5,6-dihydro-, trans-
- Molecular formula
- C9H9NO2
- Molecular weight
- 163.17
Names & synonyms
(5S,6S)-5,6-dihydroquinoline-5,6-diol130536-38-8(+-)-trans-5,6-Dihydroxy-5,6-dihydroquinoline84244-15-5trans-5,6-Dihydroxy-5,6-dihydroquinolineDLD598PLY5(+/-)-TRANS-5,6-DIHYDROXY-5,6-DIHYDROQUINOLINECCRIS 44455,6-Quinolinediol, 5,6-dihydro-, trans-TRANS-5,6-DIHYDRO-5,6-QUINOLINEDIOLUNII-DLD598PLY5DTXSID70926788
Show more names
REL-(5R,6R)-5,6-DIHYDRO-5,6-QUINOLINEDIOL5,6-QUINOLINEDIOL, 5,6-DIHYDRO-, (5R,6R)-REL-
Database identifiers
- CAS
130536-38-8、84244-15-5- PubChem CID
- 148176
- DTXSID
DTXSID70926788- UNII
- DLD598PLY5
- Nikkaji
- J470.295F
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 364.74 · 364.740±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.398 · 1.398±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.552 · 12.552±0.40(predicted)
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Compound notes
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