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Home Boronic acids 3,4,5-Trimethoxyphenylboronic acid

3,4,5-Trimethoxyphenylboronic acid

CAS No.:
182163-96-8
Catalog Number:
AG0023EV
Molecular Formula:
C9H13BO5
Molecular Weight:
212.0075
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$75
- +
25g
98%
In Stock USA
United States
$300
- +
100g
98%
In Stock USA
United States
$975
- +
Product Description
Catalog Number:
AG0023EV
Chemical Name:
3,4,5-Trimethoxyphenylboronic acid
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
Properties