B(C1=CC=C(C=C1)C(=O)C)(O)O
CAS: 149104-90-5
Name: (4-acetylphenyl)boronic acid
SMILES: B(C1=CC=C(C=C1)C(=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: OBQRODBYVNIZJU-UHFFFAOYSA-N
Synonyme
4-Acetylphenylboronic acid149104-90-54-Acetylbenzeneboronic AcidDTXSID90395250RefChem:517348DTXCID70346109629-086-3(4-acetylphenyl)boronic Acidp-acetylphenylboronic acidMFCD01074667Boronic acid, B-(4-acetylphenyl)-4-Acetylbenzeneboronic Acid (contains varying amounts of Anhydride)4-Acetylphenylboronicacid4-acetylphenyl boronic acidBORONIC ACID, (4-ACETYLPHENYL)-B-(4-Acetylphenyl)boronic Acid; 4-Acetylbenzeneboronic Acid1-[4-(Dihydroxyboranyl)Phenyl]Ethan-1-One4acetylphenylboronic acid4-actylphenylboronic acid4acetylbenzeneboronic acidp-acetylbenzeneboronic acid4-acetyl phenylboronic acid4-acetyl-phenylboronic acidSCHEMBL94164-acetylbenzene boronic acid4-(acetyl)phenylboronic acid4-acetyl phenyl boronic acid4-acetyl-phenyl boronic acid4-acetyl benzene boronic acid4-(acetyl)phenyl boronic acid
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