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4'-Butylbiphenyl-4-carboxylic acid

CAS No.:
59662-46-3
Catalog Number:
AG00EB43
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$46
- +
5g
95%
In Stock USA
United States
$141
- +
Product Description
Catalog Number:
AG00EB43
Chemical Name:
4'-Butylbiphenyl-4-carboxylic acid
CAS Number:
59662-46-3
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
MDL Number:
MFCD00222812
IUPAC Name:
4-(4-butylphenyl)benzoic acid
InChI:
InChI=1S/C17H18O2/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19/h5-12H,2-4H2,1H3,(H,18,19)
InChI Key:
BVBTVBVHIQDKKW-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)c1ccc(cc1)C(=O)O
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.131g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.329g/mol
Monoisotopic Mass:
254.131g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  
Literature
Title Journal
Discovery of a potent, orally available, and isoform-selective retinoic acid beta2 receptor agonist. Journal of medicinal chemistry 20051201
Properties