Structure Info
- Chemspace ID
- CSMB00122413235 (Enamine MADE)
- IUPAC Name
- 1-(but-3-en-2-yloxy)-octahydropentalene-1-carboxylic acid
- Mol formula
- C13H20O3
- Mol weight
- 224 Da
- Catalog Number(s)
- BBV-114953847, CSC122413235
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.97
- Heavy atoms count
- 16
- Rotatable bond count
- 4
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.76923076923077
- Polar surface area (Å)
- 47
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00122413235
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