Home Boronic acids 4-Acetyl-2-methylphenylboronic acid

4-Acetyl-2-methylphenylboronic acid

CAS No.:
2096331-11-0
Catalog Number:
AG01EHNT
Molecular Formula:
C9H11BO3
Molecular Weight:
177.9928
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$250
- +
5g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG01EHNT
Chemical Name:
4-Acetyl-2-methylphenylboronic acid
CAS Number:
2096331-11-0
Molecular Formula:
C9H11BO3
Molecular Weight:
177.9928
MDL Number:
MFCD19237178
IUPAC Name:
(4-acetyl-2-methylphenyl)boronic acid
InChI:
InChI=1S/C9H11BO3/c1-6-5-8(7(2)11)3-4-9(6)10(12)13/h3-5,12-13H,1-2H3
InChI Key:
UMMXHEAOPLVLKG-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1)C)B(O)O
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.08g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
177.994g/mol
Monoisotopic Mass:
178.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties