Name: 2-phenyl-1,3,2-dioxaborinane
SMILES:
c1ccc(B2OCCCO2)cc1Molecular Processing
Molecular formula
C9H11BO2
Molecular weight
162
Exact mass
162.0852
XLogP
0.82
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
48.35
Supplementary Information
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