Structure Info
- Chemspace ID
- CSMB06512742073 (Enamine MADE)
- IUPAC Name
- methyl 5-cyano-2-[(2-hydroxyethyl)amino]benzoate
- Mol formula
- C11H12N2O3
- Mol weight
- 220 Da
- Catalog Number(s)
- BBV-1211020505, s_27_61206_24646072, s_27____61206____24646072
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.27
- Heavy atoms count
- 16
- Rotatable bond count
- 5
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.272
- Polar surface area (Å)
- 82
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB06512742073
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