Structure Info
- Chemspace ID
- CSMB00011383648 (Enamine MADE)
- CAS
- 1486327-65-4
- MFCD
- MFCD23717251
- IUPAC Name
- 2-methanesulfonyl-4-methyl-3-oxopentanenitrile
- Mol formula
- C7H11NO3S
- Mol weight
- 189 Da
- Catalog Number(s)
- BBV-42868859, BD00997702, CSC011383648, EN300-1125054
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.26
- Heavy atoms count
- 12
- Rotatable bond count
- 3
- Number of rings
- 0
- Carbon bond saturation, Fsp3
- 0.714
- Polar surface area (Å)
- 75
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00011383648
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