COc1cc2oc(=O)c(C)c(C)c2cc1OCCCOS(C)(=O)=O
名称: 6-[3-(methanesulfonyloxy)propoxy]-7-methoxy-3,4-dimethyl-2H-1-benzopyran-2-one
SMILES: COc1cc2oc(=O)c(C)c(C)c2cc1OCCCOS(C)(=O)=O

Molecular Processing

Molecular formula
C16H20O7S
Molecular weight
356.4
Exact mass
356.093
XLogP
2.16
TPSA
92.04
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
89.42

Supplementary Information

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