Name: ethyl[2-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetate
SMILES:
CCOC(=O)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1OCCMolecular Processing
Molecular formula
C18H27BO6
Molecular weight
350.22
Exact mass
350.1901
XLogP
2.33
TPSA
63.22
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
95.46
Supplementary Information
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