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Home > Boronic Acids > 133730-34-4
133730-34-4 | 2,4-Dimethoxyphenylboronic acid
CAS No: 133730-34-4 Catalog No: AG0032ZM MDL No:MFCD01074590
Product Description
Catalog Number:
AG0032ZM
Chemical Name:
2,4-Dimethoxyphenylboronic acid
CAS Number:
133730-34-4
Molecular Formula:
C8H11BO4
Molecular Weight:
181.9815
MDL Number:
MFCD01074590
IUPAC Name:
(2,4-dimethoxyphenyl)boronic acid
InChI:
InChI=1S/C8H11BO4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5,10-11H,1-2H3
InChI Key:
SQTUYFKNCCBFRR-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1B(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 |
|---|---|
| 2,4-Dibutoxy-phenyl-boronic acid. | Acta crystallographica. Section E, Structure reports online 20090701 |
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