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Home > Boronic Acids > 159896-15-8
159896-15-8 | 2-Propenoic acid, 3-(4-boronophenyl)-, (2E)-
CAS No: 159896-15-8 Catalog No: AG001RHB MDL No:MFCD01075704
Product Description
Catalog Number:
AG001RHB
Chemical Name:
2-Propenoic acid, 3-(4-boronophenyl)-, (2E)-
CAS Number:
159896-15-8
Molecular Formula:
C9H9BO4
Molecular Weight:
191.9764
MDL Number:
MFCD01075704
IUPAC Name:
(E)-3-(4-boronophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H9BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6,13-14H,(H,11,12)/b6-3+
InChI Key:
IEMLKNHGGSYOMP-ZZXKWVIFSA-N
SMILES:
OC(=O)/C=C/c1ccc(cc1)B(O)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
192.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.977g/mol
Monoisotopic Mass:
192.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Structural study of phenyl boronic acid derivatives as AmpC beta-lactamase inhibitors. | Bioorganic & medicinal chemistry letters 20100601 |
| Structure-based approach for binding site identification on AmpC beta-lactamase. | Journal of medicinal chemistry 20020718 |
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