Home Boronic acids 4-Butanoyl-2-methylphenylboronic acid

4-Butanoyl-2-methylphenylboronic acid

CAS No.:
2096334-25-5
Catalog Number:
AG01EHHI
Molecular Formula:
C11H15BO3
Molecular Weight:
206.0460
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$188
- +
1g
98%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG01EHHI
Chemical Name:
4-Butanoyl-2-methylphenylboronic acid
CAS Number:
2096334-25-5
Molecular Formula:
C11H15BO3
Molecular Weight:
206.0460
MDL Number:
MFCD19237179
IUPAC Name:
(4-butanoyl-2-methylphenyl)boronic acid
InChI:
InChI=1S/C11H15BO3/c1-3-4-11(13)9-5-6-10(12(14)15)8(2)7-9/h5-7,14-15H,3-4H2,1-2H3
InChI Key:
OJQKTRNPPRSVKD-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1ccc(c(c1)C)B(O)O
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.111g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
206.048g/mol
Monoisotopic Mass:
206.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties