Home Other Building Blocks 5-(Phenylethynyl)nicotinic acid

5-(Phenylethynyl)nicotinic acid

CAS No.:
175203-69-7
Catalog Number:
AG0020K0
Molecular Formula:
C14H9NO2
Molecular Weight:
223.2268
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$82
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Product Description
Catalog Number:
AG0020K0
Chemical Name:
5-(Phenylethynyl)nicotinic acid
CAS Number:
175203-69-7
Molecular Formula:
C14H9NO2
Molecular Weight:
223.2268
MDL Number:
MFCD00174055
IUPAC Name:
5-(2-phenylethynyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C14H9NO2/c16-14(17)13-8-12(9-15-10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10H,(H,16,17)
InChI Key:
DXJZBANECHYHRT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(c1)C#Cc1ccccc1
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.063g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.231g/mol
Monoisotopic Mass:
223.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties