Structure Info
- Chemspace ID
- CSCS14927598487 (Synthesis)
- MFCD
- MFCD34753392
- IUPAC Name
- 4-(4-cyanophenyl)-4-methylpentanoic acid
- Mol formula
- C13H15NO2
- Mol weight
- 217 Da
- Catalog Number(s)
- BBV-1099288524
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.94
- Heavy atoms count
- 16
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.384
- Polar surface area (Å)
- 61
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS14927598487
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