이름: [(2R)-7-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl]methyl 4-methylbenzenesulfonate
SMILES:
COc1ccc2c(c1)O[C@@H](COS(=O)(=O)c1ccc(C)cc1)CO2Molecular Processing
Molecular formula
C17H18O6S
Molecular weight
350.39
Exact mass
350.0824
XLogP
2.55
TPSA
71.06
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
87.22
Supplementary Information
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