B(O)(O)OC1=CC=CC=C1
CAS: 4688-74-8
Name: phenoxyboronic acid
SMILES: B(O)(O)OC1=CC=CC=C1

Molecular Processing

Molecular formula
C6H7BO3
Molecular weight
137.93
Exact mass
138.0488
XLogP
0.03
TPSA
49.69
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
10
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
Molar refractivity
37.26

Supplementary Information

InChIKey: OSCBARYHPZZEIS-UHFFFAOYSA-N
Synonyme
Phenyl dihydrogen orthoborate4688-74-8EINECS 225-145-9phenyl boric acidBorsaurephenylesterPhenyl dihydrogen borateSCHEMBL78440DTXSID60196973NS00082992
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