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Home Carboxys 4'-(Octyloxy)-[1,1'-biphenyl]-4-carboxylic acid

4'-(Octyloxy)-[1,1'-biphenyl]-4-carboxylic acid

CAS No.:
59748-18-4
Catalog Number:
AG003LX5
Molecular Formula:
C21H26O3
Molecular Weight:
326.4293
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Product Description
Catalog Number:
AG003LX5
Chemical Name:
4'-(Octyloxy)-[1,1'-biphenyl]-4-carboxylic acid
CAS Number:
59748-18-4
Molecular Formula:
C21H26O3
Molecular Weight:
326.4293
MDL Number:
MFCD00192369
IUPAC Name:
4-(4-octoxyphenyl)benzoic acid
InChI:
InChI=1S/C21H26O3/c1-2-3-4-5-6-7-16-24-20-14-12-18(13-15-20)17-8-10-19(11-9-17)21(22)23/h8-15H,2-7,16H2,1H3,(H,22,23)
InChI Key:
YNBBQLUKHHSKPW-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)c1ccc(cc1)C(=O)O
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.188g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
326.436g/mol
Monoisotopic Mass:
326.188g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6  
Literature
Title Journal
Design, synthesis, and structure-activity analysis of isoform-selective retinoic acid receptor beta ligands. Journal of medicinal chemistry 20090326
Properties