Structure Info
- Chemspace ID
- CSMB06525916839 (Enamine MADE)
- IUPAC Name
- methyl 5-cyano-2-[(prop-2-en-1-yl)amino]benzoate
- Mol formula
- C12H12N2O2
- Mol weight
- 216 Da
- Catalog Number(s)
- BBV-1216576742, s_27_61275_24646072, s_27____61275____24646072
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.69
- Heavy atoms count
- 16
- Rotatable bond count
- 5
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.166
- Polar surface area (Å)
- 62
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB06525916839
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