CAS 159683-65-5 | 1,4-Naphthalenedicarbonitrile, 6-hydroxy- | CAS Number 159683-65-5

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159683-65-5 | 1,4-Naphthalenedicarbonitrile, 6-hydroxy-

CAS No: 159683-65-5 Catalog No: AG001RBK MDL No:

Product Description

Catalog Number:

AG001RBK

Chemical Name:

1,4-Naphthalenedicarbonitrile, 6-hydroxy-

CAS Number:

159683-65-5

Molecular Formula:

C12H6N2O

Molecular Weight:

194.1888

IUPAC Name:

6-hydroxynaphthalene-1,4-dicarbonitrile

InChI:

InChI=1S/C12H6N2O/c13-6-8-1-2-9(7-14)12-5-10(15)3-4-11(8)12/h1-5,15H

InChI Key:

GLVBAPHVHWRRBT-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(c2c1ccc(c2)O)C#N

Properties

Complexity:

334

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

194.048g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

194.193g/mol

Monoisotopic Mass:

194.048g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Excited-state proton transfer in gas-expanded liquids: the roles of pressure and composition in supercritical CO2/methanol mixtures.	Journal of the American Chemical Society 20050831
Effect of pressure on the proton transfer rate from a photoacid to a solvent. 4. Photoacids in methanol.	The journal of physical chemistry. A 20050602
Excited-state proton transfer in chiral environments. 1. Chiral solvents.	Journal of the American Chemical Society 20020807