Name: Name:Pyridine, 3-(2-phenylethynyl)-
Brand: Angene
SKU: AG0010MB
Rating: 90 (10 reviews)

Pyridine, 3-(2-phenylethynyl)-

CAS No.:

13238-38-5

Catalog Number:

AG0010MB

Molecular Formula:

C13H9N

Molecular Weight:

179.2173

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Product Description

Catalog Number:

AG0010MB

Chemical Name:

Pyridine, 3-(2-phenylethynyl)-

CAS Number:

13238-38-5

Molecular Formula:

C13H9N

Molecular Weight:

179.2173

MDL Number:

MFCD09029837

IUPAC Name:

3-(2-phenylethynyl)pyridine

InChI:

InChI=1S/C13H9N/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13/h1-7,10-11H

InChI Key:

ZLYFXWKSLUXFMU-UHFFFAOYSA-N

SMILES:

c1ccc(cc1)C#Cc1cccnc1

Properties

Complexity:

226

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

179.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

179.222g/mol

Monoisotopic Mass:

179.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

12.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
(Z)-1-Acetyl-3-[2-oxo-1-phenyl-2-(3-pyrid-yl)ethyl-idene]indolin-2-one.	Acta crystallographica. Section E, Structure reports online 20100901