Structure Info
- Chemspace ID
- CSMB00015427536 (Enamine MADE)
- MFCD
- MFCD30340726
- IUPAC Name
- 4-hydroxy-2-methanesulfonyl-3-oxobutanenitrile
- Mol formula
- C5H7NO4S
- Mol weight
- 177 Da
- Catalog Number(s)
- BBV-72250551, CSC015427536
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -1.8
- Heavy atoms count
- 11
- Rotatable bond count
- 3
- Number of rings
- 0
- Carbon bond saturation, Fsp3
- 0.6
- Polar surface area (Å)
- 95
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00015427536
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