Structure Info
- Chemspace ID
- CSSS00020677278 (In-Stock Screening Compounds)
- CAS
- 108614-26-2
- MFCD
- MFCD28047007
- IUPAC Name
- 1-(4-ethynylphenyl)-4-propyl-2,6,7-trioxabicyclo[2.2.2]octane
- Mol formula
- C16H18O3
- Mol weight
- 258 Da
- Catalog Number(s)
- 108614-26-2, 255414, ArZ-UP165054, BBV-620284, CSC020677278, EN300-365267, JH54426, Z2216296411, ZX-NM208329
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.53
- Heavy atoms count
- 19
- Rotatable bond count
- 3
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.5
- Polar surface area (Å)
- 28
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSS00020677278
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