B(C1=CC=CC=C1C(=O)C)(O)O
CAS: 308103-40-4
Name: (2-acetylphenyl)boronic acid
SMILES: B(C1=CC=CC=C1C(=O)C)(O)O

Molecular Processing

Molecular formula
C8H9BO3
Molecular weight
163.97
Exact mass
164.0645
XLogP
-0.43
TPSA
57.53
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
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
0.125
Molar refractivity
46.27

Supplementary Information

InChIKey: ZKAOVABYLXQUTI-UHFFFAOYSA-N
Synonyme
2-Acetylphenylboronic acid308103-40-4DTXSID50370200RefChem:85004DTXCID90321236608-542-5(2-acetylphenyl)boronic AcidMFCD01321263Boronic acid, B-(2-acetylphenyl)-BORONIC ACID, (2-ACETYLPHENYL)-2-ACETYLBENZENEBORONIC ACID2-acetylphenylboronicacid2-acetyl-phenylboronic acid2-acetylphenyl boronic acid2-acetyl phenyl boronic acid2-acetyl-phenyl-boronic acidSCHEMBL519802SCHEMBL29469063ALBB-019202SBB000148AKOS000264864AB09053PS-9500NCGC00249468-01SY017676DB-005908CS-0007623EN300-310670F0366212-Acetylphenylboronic acid(Contains varying amounts of anhydride)
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