Structure Info
- Chemspace ID
- CSCS00010584075 (Synthesis)
- MFCD
- MFCD24639010
- IUPAC Name
- methyl 2-amino-5-cyano-3-ethylbenzoate
- Mol formula
- C11H12N2O2
- Mol weight
- 204 Da
- Catalog Number(s)
- BBV-45401270, CSC010584075, FCH1955050
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.61
- 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
- CSCS00010584075
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