Cc1ccc(S(=O)(=O)OC(=CC#N)C(C)(C)C)cc1
Name: 1-cyano-3,3-dimethylbut-1-en-2-yl 4-methylbenzenesulfonate
SMILES: Cc1ccc(S(=O)(=O)OC(=CC#N)C(C)(C)C)cc1

Molecular Processing

Molecular formula
C14H17NO3S
Molecular weight
279.36
Exact mass
279.0929
XLogP
3.15
TPSA
67.16
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
72.6

Supplementary Information

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