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Home > Boronic Acids > 127972-02-5
127972-02-5 | Boronic acid, B-(5-formyl-2-methoxyphenyl)-
CAS No: 127972-02-5 Catalog No: AG000XMU MDL No:MFCD01319044
Product Description
Catalog Number:
AG000XMU
Chemical Name:
Boronic acid, B-(5-formyl-2-methoxyphenyl)-
CAS Number:
127972-02-5
Molecular Formula:
C8H9BO4
Molecular Weight:
179.9657
MDL Number:
MFCD01319044
IUPAC Name:
(5-formyl-2-methoxyphenyl)boronic acid
InChI:
InChI=1S/C8H9BO4/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-5,11-12H,1H3
InChI Key:
NKKNXLPHCRLBDY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1B(O)O)C=O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.966g/mol
Monoisotopic Mass:
180.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Phenylboronic-acid-based carbohydrate binders as antiviral therapeutics: monophenylboronic acids. | Antiviral chemistry & chemotherapy 20100811 |
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