sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 3-(4-Isobutylphenyl)propanoic acid

3-(4-Isobutylphenyl)propanoic acid

CAS No.:
65322-85-2
Catalog Number:
AG0033GJ
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$82
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$525
- +
25g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG0033GJ
Chemical Name:
3-(4-Isobutylphenyl)propanoic acid
CAS Number:
65322-85-2
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
MDL Number:
MFCD08275589
IUPAC Name:
3-[4-(2-methylpropyl)phenyl]propanoic acid
InChI:
InChI=1S/C13H18O2/c1-10(2)9-12-5-3-11(4-6-12)7-8-13(14)15/h3-6,10H,7-9H2,1-2H3,(H,14,15)
InChI Key:
DYNVRFFVBZVRND-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)CCC(=O)O)C
UNII:
35B9MX4RIO
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
An innovative approach to the analysis of 3-[4-(2-methylpropyl)phenyl]propanoic acid as an impurity of ibuprofen on a carbon-coated zirconia stationary phase. Journal of pharmaceutical and biomedical analysis 20090712
Properties