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(S)-(+)-Ibuprofen

CAS No.:
51146-56-6
Catalog Number:
AG003CHT
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
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Purity
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Product Description
Catalog Number:
AG003CHT
Chemical Name:
(S)-(+)-Ibuprofen
CAS Number:
51146-56-6
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
(2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI:
InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
InChI Key:
HEFNNWSXXWATRW-JTQLQIEISA-N
SMILES:
CC(Cc1ccc(cc1)[C@@H](C(=O)O)C)C
UNII:
671DKG7P5S
NSC Number:
759814
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
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