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49594-75-4,MFCD00173766
Catalog No.:AA003I1I
49594-75-4 | 4-(4-Ethylphenyl)-4-oxobutanoic acid
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1g
95%
1 week  
$60.00   $42.00
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5g
95%
1 week  
$85.00   $60.00
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25g
95%
1 week  
$176.00   $123.00
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100g
95%
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$422.00   $295.00
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003I1I
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
Computed 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  

Synonyms
 
4-(4-Ethylphenyl)-4-oxobutanoic acid 
49594-75-4 
AC1L7V1W 
AC1Q2TE6 
Oprea1_304761 
SCHEMBL5081078 
CTK4J1413 
HMS547G02 
DTXSID30311853 
ZINC132847 
3-(4-ethylbenzoyl)-propionic acid 
ALBB-023623 
3-(4-Ethylbenzoyl)propionic acid 
KS-00003SI2 
ZX-AN022137 
ZX-AT023449 
7146b 
MFCD00173766 
AKOS000200479 
4-Oxo-4-(4-ethylphenyl)butanoic acid 
CCG-236277 
MCULE-4697833857 
NSC-246068 
ZLHLIRYSBPOFQB-UHFFFAOYSA-N 
RP04576 
ACM49594754 
4-(4-ethyl-phenyl)-4-oxo-butyric acid 
Benzenebutanoic acid, 4-ethyl-gamma-oxo- 
TS-00376 
DB-051652 
TC-170201 
BB 0218528 
Benzenebutanoic acid, 4-ethyl-.gamma.-oxo- 
FT-0616620 
Benzenebutanoic acid,4-ethyl-g-oxo- 
R2407 
ST45021898 
Y9211 
J-513501 
I14-61132 
Z56913171 
C12H14O3 
CID316983 
4-(4-Ethylphenyl)-4-oxobutyric acid 
4-OXO-4-(4-ETHYLPHENYL)BUTYRIC ACID 
NSC246068 
Maybridge1_002070 
ACMC-1AJZ0 
Literature

Title: Antimicrobial activities of some synthetic butenolides and their pyrrolone derivatives.

Journal: Journal of enzyme inhibition and medicinal chemistry 20100201

Title: Synthesis and Biological Evaluation of beta-Aroylpropionic acid based 1,3,4-Oxadiazoles.

Journal: Indian journal of pharmaceutical sciences 20090101

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