SMILES:
COC(=O)C(=O)c1ccc(C)s1Molecular Processing
Molecular formula
C8H8O3S
Molecular weight
184.22
Exact mass
184.0194
XLogP
1.41
TPSA
43.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
12
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
0.25
Molar refractivity
45.4
Supplementary Information
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