Structure Info
- Chemspace ID
- CSCS00009843401 (Synthesis)
- MFCD
- MFCD18208750
- IUPAC Name
- 5-hydroxy-3-oxo-2,3-dihydro-1H-indene-4,6-dicarbonitrile
- Mol formula
- C11H6N2O2
- Mol weight
- 198 Da
- Catalog Number(s)
- BBV-39715964, CSC009843401, FCH1137693
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.25
- Heavy atoms count
- 15
- Rotatable bond count
- 0
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.181
- Polar surface area (Å)
- 85
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS00009843401
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