Home Other Building Blocks 4-(2,4-Dimethylphenyl)-4-oxobutanoic acid

4-(2,4-Dimethylphenyl)-4-oxobutanoic acid

CAS No.:
15880-03-2
Catalog Number:
AG001QVO
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$59
- +
5g
95%
1 week
United States
$112
- +
25g
95%
1 week
United States
$259
- +
Product Description
Catalog Number:
AG001QVO
Chemical Name:
4-(2,4-Dimethylphenyl)-4-oxobutanoic acid
CAS Number:
15880-03-2
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD00020536
IUPAC Name:
4-(2,4-dimethylphenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C12H14O3/c1-8-3-4-10(9(2)7-8)11(13)5-6-12(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)
InChI Key:
JYLUOTCHTVZCDL-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)c1ccc(cc1C)C
NSC Number:
163163
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.094g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.241g/mol
Monoisotopic Mass:
206.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties