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Home > Boronic Acids > 182163-96-8
182163-96-8 | Boronic acid, B-(3,4,5-trimethoxyphenyl)-
CAS No: 182163-96-8 Catalog No: AG0023EV MDL No:MFCD01075676
Product Description
Catalog Number:
AG0023EV
Chemical Name:
Boronic acid, B-(3,4,5-trimethoxyphenyl)-
CAS Number:
182163-96-8
Molecular Formula:
C9H13BO5
Molecular Weight:
212.0075
MDL Number:
MFCD01075676
IUPAC Name:
(3,4,5-trimethoxyphenyl)boronic acid
InChI:
InChI=1S/C9H13BO5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5,11-12H,1-3H3
InChI Key:
RULQUTYJXDLRFL-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)B(O)O
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.086g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.008g/mol
Monoisotopic Mass:
212.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization. | Journal of medicinal chemistry 20101111 |
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