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Tiaprofenic acid

CAS No.:
33005-95-7
Catalog Number:
AG0035P6
Molecular Formula:
C14H12O3S
Molecular Weight:
260.3083
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$2387
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Product Description
Catalog Number:
AG0035P6
Chemical Name:
Tiaprofenic acid
CAS Number:
33005-95-7
Molecular Formula:
C14H12O3S
Molecular Weight:
260.3083
MDL Number:
MFCD00866089
IUPAC Name:
2-(5-benzoylthiophen-2-yl)propanoic acid
InChI:
InChI=1S/C14H12O3S/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)
InChI Key:
GUHPRPJDBZHYCJ-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(s1)C(=O)c1ccccc1)C
EC Number:
251-329-3
Properties
Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.051g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.307g/mol
Monoisotopic Mass:
260.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
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In vitro interactions of captopril with NSAID's. Pakistan journal of pharmaceutical sciences 20060701
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Properties