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75625-99-9

75625-99-9 | 2-[4-(2-Methylpropenyl)phenyl]propionic Acid

CAS No: 75625-99-9 Catalog No: AG0038GF MDL No:

Product Description

Catalog Number:
AG0038GF
Chemical Name:
2-[4-(2-Methylpropenyl)phenyl]propionic Acid
CAS Number:
75625-99-9
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
2-[4-(2-methylprop-1-enyl)phenyl]propanoic acid
InChI:
InChI=1S/C13H16O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-8,10H,1-3H3,(H,14,15)
InChI Key:
WYUJTWQSJJRVIG-UHFFFAOYSA-N
SMILES:
CC(=Cc1ccc(cc1)C(C(=O)O)C)C

Properties

Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Literature

Title Journal
Design of noncompetitive interleukin-8 inhibitors acting on CXCR1 and CXCR2. Journal of medicinal chemistry 20070823

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