Structure Info
- Chemspace ID
- CSMB00010572312 (Enamine MADE)
- CAS
- 1032667-90-5
- MFCD
- MFCD24627460
- IUPAC Name
- ethyl 2-amino-5-cyano-3-methylbenzoate
- Mol formula
- C11H12N2O2
- Mol weight
- 204 Da
- Catalog Number(s)
- A356634, AG103292, BB4LS-BD00809187, BBV-45387600, BD00809187, CSC010572312, EN300-9466487, FCH1942927, G70085, Y1364926
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.52
- Heavy atoms count
- 15
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.272
- Polar surface area (Å)
- 76
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00010572312
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