CC1(C)OB(c2cccc(O)c2)OC1(C)C
Name: 3-hydroxyphenyl-boronic acid pinacol ester
SMILES: CC1(C)OB(c2cccc(O)c2)OC1(C)C

Molecular Processing

Molecular formula
C12H17BO3
Molecular weight
220.08
Exact mass
220.1271
XLogP
1.69
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
63.82

Supplementary Information

Details werden geladen…

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