CS(=O)(=O)OCCC(C#N)CO
名称: 4-methylsulfonyloxy-2-(hydroxymethyl) butanenitrile
SMILES: CS(=O)(=O)OCCC(C#N)CO

Molecular Processing

Molecular formula
C6H11NO4S
Molecular weight
193.22
Exact mass
193.0409
XLogP
-0.52
TPSA
87.39
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
41.6

Supplementary Information

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