B(C1=CC(=C(C=C1)OC)OC)(O)O
CAS: 122775-35-3
Name: (3,4-dimethoxyphenyl)boronic acid
SMILES: B(C1=CC(=C(C=C1)OC)OC)(O)O

Molecular Processing

Molecular formula
C8H11BO4
Molecular weight
181.98
Exact mass
182.075
XLogP
-0.62
TPSA
58.92
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
49.37

Supplementary Information

InChIKey: RCVDPBFUMYUKPB-UHFFFAOYSA-N
Synonyme
3,4-Dimethoxyphenylboronic acid122775-35-3DTXSID00370452RefChem:91189DTXCID80321487679-694-8(3,4-dimethoxyphenyl)boronic acid3,4-Dimethoxybenzeneboronic AcidMFCD01074574Boronic acid, B-(3,4-dimethoxyphenyl)-(3,4-dimethoxyphenyl)boranediolBoronicacid, (3,4-dimethoxyphenyl)-Boronic acid, (3,4-dimethoxyphenyl)-3, 4-dimethoxyphenylboronic acid3,4-dimethoxybenzene boronic acidSCHEMBL231143,4-dimethoxyphenyboronic AcidCHEMBL349942orb29401234,5-dimethoxyphenylboronic acid3,4-dimethoxy phenylboronic acid3,4-dimethoxy-phenylboronic acid3,4-dimethoxyphenyl boronic acid3,4-dimethoxyphenyl-boronic acidRCVDPBFUMYUKPB-UHFFFAOYSA-N3,4-dimethoxy phenyl boronic acid3,4-dimethoxy-phenyl boronic acid3,4-dimethoxy-phenyl-boronic acidALBB-006117CS-D1792
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