Name: 6-hydroxy-3-methyl-4-trifluoromethanesulfonyloxy-phthalic acid dimethyl ester
SMILES:
COC(=O)c1c(O)cc(OS(=O)(=O)C(F)(F)F)c(C)c1C(=O)OCMolecular Processing
Molecular formula
C12H11F3O8S
Molecular weight
372.27
Exact mass
372.0127
XLogP
1.5
TPSA
116.2
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
24
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
71.13
Supplementary Information
Details werden geladen…
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