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Home > Boronic Acids > 87199-14-2
87199-14-2 | (2-(Hydroxymethyl)phenyl)boronic acid
CAS No: 87199-14-2 Catalog No: AG004NKF MDL No:MFCD02258966
Product Description
Catalog Number:
AG004NKF
Chemical Name:
(2-(Hydroxymethyl)phenyl)boronic acid
CAS Number:
87199-14-2
Molecular Formula:
C7H9BO3
Molecular Weight:
151.9556
MDL Number:
MFCD02258966
IUPAC Name:
[2-(hydroxymethyl)phenyl]boronic acid
InChI:
InChI=1S/C7H9BO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9-11H,5H2
InChI Key:
AFHOBSCDNXGFMO-UHFFFAOYSA-N
SMILES:
OCc1ccccc1B(O)O
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
151.956g/mol
Monoisotopic Mass:
152.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^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 |
| A solid-state (11)b NMR and computational study of boron electric field gradient and chemical shift tensors in boronic acids and boronic esters. | The journal of physical chemistry. A 20100422 |
| Benzoboroxoles as efficient glycopyranoside-binding agents in physiological conditions: structure and selectivity of complex formation. | The Journal of organic chemistry 20080905 |
| An improved class of sugar-binding boronic acids, soluble and capable of complexing glycosides in neutral water. | Journal of the American Chemical Society 20060405 |
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