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Home > Boronic Acids > 40972-86-9
40972-86-9 | 2,3-Dimethoxybenzeneboronic acid
CAS No: 40972-86-9 Catalog No: AG003FJL MDL No:MFCD02683112
Product Description
Catalog Number:
AG003FJL
Chemical Name:
2,3-Dimethoxybenzeneboronic acid
CAS Number:
40972-86-9
Molecular Formula:
C8H11BO4
Molecular Weight:
181.9815
MDL Number:
MFCD02683112
IUPAC Name:
(2,3-dimethoxyphenyl)boronic acid
InChI:
InChI=1S/C8H11BO4/c1-12-7-5-3-4-6(9(10)11)8(7)13-2/h3-5,10-11H,1-2H3
InChI Key:
VREWSCMOGIXMDQ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1OC)B(O)O
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.982g/mol
Monoisotopic Mass:
182.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis of polychlorinated biphenyls and their metabolites with a modified Suzuki-coupling. | Chemosphere 20040801 |
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