Structure Info
- Chemspace ID
- CSMB00137463281 (Enamine MADE)
- IUPAC Name
- 4-[(5-oxooxolan-3-yl)methyl]benzonitrile
- Mol formula
- C12H11NO2
- Mol weight
- 201 Da
- Catalog Number(s)
- BBV-174861668, CSC137463281, IMED3582740928
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.95
- Heavy atoms count
- 15
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 50
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00137463281
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