Structure Info
- Chemspace ID
- CSCS00135396824 (Synthesis)
- MFCD
- MFCD31636298
- IUPAC Name
- 2-(hydroxymethyl)-2-methanesulfonylpent-4-enenitrile
- Mol formula
- C7H11NO3S
- Mol weight
- 189 Da
- Catalog Number(s)
- BBV-159055064, CSC135396824, FCH20148916
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.69
- Heavy atoms count
- 12
- Rotatable bond count
- 4
- Number of rings
- 0
- Carbon bond saturation, Fsp3
- 0.571
- Polar surface area (Å)
- 78
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS00135396824
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