Structure Info
- Chemspace ID
- CSMB00052596834 (Enamine MADE)
- CAS
- 190667-61-9
- MFCD
- MFCD32758564
- IUPAC Name
- hepta-1,4-dien-3-ol
- Mol formula
- C7H12O
- Mol weight
- 112 Da
- Catalog Number(s)
- BBV-56329093, CSC052596834, EN300-1858135, FCH2525134, IMED1896524874
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.83
- Heavy atoms count
- 8
- Rotatable bond count
- 3
- Number of rings
- 0
- Carbon bond saturation, Fsp3
- 0.428
- Polar surface area (Å)
- 20
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00052596834
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