CAS 78593-40-5 | Quinoline, 3-ethynyl- | CAS Number 78593-40-5

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78593-40-5 | Quinoline, 3-ethynyl-

CAS No: 78593-40-5 Catalog No: AG00527R MDL No:MFCD03286159

Product Description

Catalog Number:

AG00527R

Chemical Name:

Quinoline, 3-ethynyl-

CAS Number:

78593-40-5

Molecular Formula:

C11H7N

Molecular Weight:

153.1800

MDL Number:

MFCD03286159

IUPAC Name:

3-ethynylquinoline

InChI:

InChI=1S/C11H7N/c1-2-9-7-10-5-3-4-6-11(10)12-8-9/h1,3-8H

InChI Key:

ASBDHAOKWPWQMZ-UHFFFAOYSA-N

SMILES:

C#Cc1cnc2c(c1)cccc2

Properties

Complexity:

200

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

153.058g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

153.184g/mol

Monoisotopic Mass:

153.058g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

12.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Unimolecular dissociation of anthracene and acridine cations: the importance of isomerization barriers for the C2H2 loss and HCN loss channels.	The Journal of chemical physics 20110828
Synthesis, photophysics, and optical limiting of platinum(II) 4'-tolylterpyridyl arylacetylide complexes.	Inorganic chemistry 20050530