Name: 6-allyloxy-3-methyl-4-trifluoromethanesulfonyloxy-phthalic acid dimethyl ester
SMILES:
C=CCOc1cc(OS(=O)(=O)C(F)(F)F)c(C)c(C(=O)OC)c1C(=O)OCMolecular Processing
Molecular formula
C15H15F3O8S
Molecular weight
412.34
Exact mass
412.044
XLogP
2.36
TPSA
105.2
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
27
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
85.15
Supplementary Information
Details werden geladen…
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