Structure Info
- Chemspace ID
- CSMB00016767115 (Enamine MADE)
- IUPAC Name
- methyl {[3-(cyanomethyl)phenyl]carbamoyl}formate
- Mol formula
- C11H10N2O3
- Mol weight
- 218 Da
- Catalog Number(s)
- BBV-78024624, CSC016767115
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.25
- Heavy atoms count
- 16
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.181
- Polar surface area (Å)
- 79
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00016767115
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