Structure Info
- Chemspace ID
- CSMB00015997379 (Enamine MADE)
- CAS
- 17572-87-1
- IUPAC Name
- (3aR,6aR)-octahydropentalene-1,4-dione
- Mol formula
- C8H10O2
- Mol weight
- 138 Da
- Catalog Number(s)
- BBV-77649469, CSC015997379, EN300-20155433, FCH3966118
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.93
- Heavy atoms count
- 10
- Rotatable bond count
- 0
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.75
- Polar surface area (Å)
- 34
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00015997379
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