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Home Other Building Blocks 4-(4-Ethylphenyl)-4-oxobutanoic acid

4-(4-Ethylphenyl)-4-oxobutanoic acid

CAS No.:
49594-75-4
Catalog Number:
AG003I4A
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$52
- +
5g
95%
1 week
United States
$73
- +
25g
95%
1 week
United States
$148
- +
100g
95%
1 week
United States
$350
- +
Product Description
Catalog Number:
AG003I4A
Chemical Name:
4-(4-Ethylphenyl)-4-oxobutanoic acid
CAS Number:
49594-75-4
Molecular Formula:
C12H14O3
Molecular Weight:
206.2378
MDL Number:
MFCD00173766
IUPAC Name:
4-(4-ethylphenyl)-4-oxobutanoic acid
InChI:
InChI=1S/C12H14O3/c1-2-9-3-5-10(6-4-9)11(13)7-8-12(14)15/h3-6H,2,7-8H2,1H3,(H,14,15)
InChI Key:
ZLHLIRYSBPOFQB-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C(=O)CCC(=O)O
NSC Number:
246068
Properties
Complexity:
227  
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:
5  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Antimicrobial activities of some synthetic butenolides and their pyrrolone derivatives. Journal of enzyme inhibition and medicinal chemistry 20100201
Synthesis and Biological Evaluation of beta-Aroylpropionic acid based 1,3,4-Oxadiazoles. Indian journal of pharmaceutical sciences 20090101
Properties