Structure Info
- Chemspace ID
- CSMB00000137991 (Enamine MADE)
- MFCD
- MFCD19229029
- IUPAC Name
- 3-cyano-2,2,3-trimethylpropanoic acid
- Mol formula
- C7H11NO2
- Mol weight
- 141 Da
- Catalog Number(s)
- BBV-38411059, CSC000137991
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.3
- Heavy atoms count
- 10
- Rotatable bond count
- 2
- Number of rings
- 0
- Carbon bond saturation, Fsp3
- 0.71428571428571
- Polar surface area (Å)
- 61
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00000137991
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