B(O)(O)OC1=C(C=C(C=C1C)C)C
Name: (2,4,6-trimethylphenoxy)boronic acid
SMILES: B(O)(O)OC1=C(C=C(C=C1C)C)C

Molecular Processing

Molecular formula
C9H13BO3
Molecular weight
180.01
Exact mass
180.0958
XLogP
0.96
TPSA
49.69
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
51.47

Supplementary Information

InChIKey: XAGNIPVHYKWCLI-UHFFFAOYSA-N
Synonyme
mesitylboric acidSCHEMBL4859546XAGNIPVHYKWCLI-UHFFFAOYSA-N
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