이름: [3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-acetic acid methyl ester
SMILES:
COC(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1Molecular Processing
Molecular formula
C15H21BO4
Molecular weight
276.14
Exact mass
276.1533
XLogP
1.7
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
77.88
Supplementary Information
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