Structure Info
- Chemspace ID
- CSMB00011383647 (Enamine MADE)
- CAS
- 1549678-41-2
- MFCD
- MFCD23717250
- IUPAC Name
- 2-methanesulfonyl-3-oxobutanenitrile
- Mol formula
- C5H7NO3S
- Mol weight
- 161 Da
- Catalog Number(s)
- BBV-42868858, BD00993396, CSC011383647, EN300-1125830
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.98
- Heavy atoms count
- 10
- Rotatable bond count
- 2
- Number of rings
- 0
- Carbon bond saturation, Fsp3
- 0.6
- Polar surface area (Å)
- 75
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00011383647
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