이름: 3-acetylthio-2-methoxycarbonylmethylpropanoic acid
SMILES:
COC(=O)CC(CSC(C)=O)C(=O)OMolecular Processing
Molecular formula
C8H12O5S
Molecular weight
220.25
Exact mass
220.0405
XLogP
0.53
TPSA
80.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
14
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
0.625
Molar refractivity
50.9
Supplementary Information
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