B(C1=C(C=CC(=C1)OC)OC)(O)O
CAS: 107099-99-0
الاسم: (2,5-dimethoxyphenyl)boronic acid
SMILES: B(C1=C(C=CC(=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: QOZLFNQLIKOGDR-UHFFFAOYSA-N
مرادفات
2,5-Dimethoxyphenylboronic acidDTXSID80370233RefChem:1060098DTXCID20321269107099-99-0(2,5-dimethoxyphenyl)boronic Acid2,5-Dimethoxybenzeneboronic AcidMFCD013181812,5-dimethoxyphenyl boronic acidBoronic acid, (2,5-dimethoxyphenyl)-SCHEMBL518510SCHEMBL293854142,5-dimethoxyphenylboronoic acidMSK169372SBB089842B-(2,5-Dimethoxyphenyl)-boronicacidAKOS004116319AB08674CS-W017138PS-9615NCGC00249517-012,5-DIMETHOXYBENZENE BORONIC ACIDAC-25601Boronic acid, B-(2,5-dimethoxyphenyl)-SY014693DB-009493D3522EN300-1262825F010990Z336080040
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