이름: 7-[3-(methanesulfonyloxy)propoxy]-6-methoxy-2H-1-benzopyran-2-one
SMILES:
COc1cc2ccc(=O)oc2cc1OCCCOS(C)(=O)=OMolecular Processing
Molecular formula
C14H16O7S
Molecular weight
328.34
Exact mass
328.0617
XLogP
1.55
TPSA
92.04
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
22
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
0.357
Molar refractivity
79.94
Supplementary Information
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