Nombre: 3,4-dihydro-3-methyl-2,2-dioxo-1,2-benzoxathiin-8-ylsulfonyl isocyanate
SMILES:
CC1Cc2cccc(S(=O)(=O)N=C=O)c2OS1(=O)=OMolecular Processing
Molecular formula
C10H9NO6S2
Molecular weight
303.32
Exact mass
302.9871
XLogP
0.36
TPSA
106.94
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
64.46
Supplementary Information
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