SMILES:
OB(O)c1cccc(OC2CC2)c1Molecular Processing
Molecular formula
C9H11BO3
Molecular weight
178
Exact mass
178.0801
XLogP
-0.09
TPSA
49.69
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
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
0.333
Molar refractivity
49.92
Supplementary Information
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