Structure Info
- Chemspace ID
- CSMB00011517707 (Enamine MADE)
- MFCD
- MFCD01320123
- IUPAC Name
- 4-(4-cyanophenyl)-4-oxobutanoic acid
- Mol formula
- C11H9NO3
- Mol weight
- 203 Da
- Catalog Number(s)
- BBV-33311090, CSC011517707, IMED3225992957
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.21
- Heavy atoms count
- 15
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.181
- Polar surface area (Å)
- 78
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00011517707
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