COc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1CCC(=O)O
名称: 2-methoxy-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]benzenepropanoic acid
SMILES: COc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1CCC(=O)O

Molecular Processing

Molecular formula
C13H12F6O4
Molecular weight
346.22
Exact mass
346.064
XLogP
3.02
TPSA
66.76
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
64.96

Supplementary Information

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