이름: [4-(ethoxycarbonyl)-2-methoxyphenyl]boronic acid
SMILES:
CCOC(=O)c1ccc(B(O)O)c(OC)c1Molecular Processing
Molecular formula
C10H13BO5
Molecular weight
224.02
Exact mass
224.0856
XLogP
-0.45
TPSA
75.99
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
58.78
Supplementary Information
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