Name: ester
SMILES:
CCOC(=O)C(=O)c1ccc(OC)s1Molecular Processing
Molecular formula
C9H10O4S
Molecular weight
214.24
Exact mass
214.03
XLogP
1.5
TPSA
52.6
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
14
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
0.333
Molar refractivity
51.83
Supplementary Information
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