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Suprofen

CAS No.:
40828-46-4
Catalog Number:
AG019FSS
Molecular Formula:
C14H12O3S
Molecular Weight:
260.3083
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%(HPLC)
In Stock USA
United States
$87
- +
10mg
98%(HPLC)
In Stock USA
United States
$148
- +
25mg
98%(HPLC)
In Stock USA
United States
$326
- +
50mg
98%(HPLC)
In Stock USA
United States
$496
- +
Product Description
Catalog Number:
AG019FSS
Chemical Name:
Suprofen
CAS Number:
40828-46-4
Molecular Formula:
C14H12O3S
Molecular Weight:
260.3083
MDL Number:
MFCD00079572
IUPAC Name:
2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid
InChI:
InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)
InChI Key:
MDKGKXOCJGEUJW-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(cc1)C(=O)c1cccs1)C
EC Number:
255-096-9
Properties
Complexity:
321  
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
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Properties