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Home Carboxys 4'-Ethyl-[1,1'-biphenyl]-4-carboxylic acid

4'-Ethyl-[1,1'-biphenyl]-4-carboxylic acid

CAS No.:
5731-13-5
Catalog Number:
AG003K3F
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
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Product Description
Catalog Number:
AG003K3F
Chemical Name:
4'-Ethyl-[1,1'-biphenyl]-4-carboxylic acid
CAS Number:
5731-13-5
Molecular Formula:
C15H14O2
Molecular Weight:
226.2705
MDL Number:
MFCD00010210
IUPAC Name:
4-(4-ethylphenyl)benzoic acid
InChI:
InChI=1S/C15H14O2/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16)17/h3-10H,2H2,1H3,(H,16,17)
InChI Key:
SCEBDBNGUCNRCE-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)c1ccc(cc1)C(=O)O
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.099g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.275g/mol
Monoisotopic Mass:
226.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
Discovery of a potent, orally available, and isoform-selective retinoic acid beta2 receptor agonist. Journal of medicinal chemistry 20051201
Properties