SMILES:
CC(C)(C)OC(=O)/C=C/c1ccc(C=O)s1Molecular Processing
Molecular formula
C12H14O3S
Molecular weight
238.31
Exact mass
238.0664
XLogP
2.92
TPSA
43.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
64.59
Supplementary Information
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