Structure Info
- Chemspace ID
- CSCS00135168637 (Synthesis)
- IUPAC Name
- methyl 6-amino-3-cyano-2-ethoxybenzoate
- Mol formula
- C11H12N2O3
- Mol weight
- 220 Da
- Catalog Number(s)
- BBV-148240977, CSC135168637, FCH19913627
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.85
- Heavy atoms count
- 16
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.272
- Polar surface area (Å)
- 85
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS00135168637
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