CAS 49594-75-4 | 4-(4-Ethylphenyl)-4-oxobutanoic acid | CAS Number 49594-75-4

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49594-75-4 | 4-(4-Ethylphenyl)-4-oxobutanoic acid

CAS No: 49594-75-4 Catalog No: AG003I4A MDL No:MFCD00173766

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

206.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

206.241g/mol

Monoisotopic Mass:

206.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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