CAS 71056-96-7 | 2-(6-Methoxynaphthalen-2-yl)acetonitrile | CAS Number 71056-96-7

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71056-96-7 | 2-(6-Methoxynaphthalen-2-yl)acetonitrile

CAS No: 71056-96-7 Catalog No: AG005ESH MDL No:MFCD09835581

Product Description

Catalog Number:

AG005ESH

Chemical Name:

2-(6-Methoxynaphthalen-2-yl)acetonitrile

CAS Number:

71056-96-7

Molecular Formula:

C13H11NO

Molecular Weight:

197.2325

MDL Number:

MFCD09835581

IUPAC Name:

2-(6-methoxynaphthalen-2-yl)acetonitrile

InChI:

InChI=1S/C13H11NO/c1-15-13-5-4-11-8-10(6-7-14)2-3-12(11)9-13/h2-5,8-9H,6H2,1H3

InChI Key:

NLQWCQWHTQUUNU-UHFFFAOYSA-N

SMILES:

N#CCc1ccc2c(c1)ccc(c2)OC

Properties

Complexity:

255

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

197.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

197.237g/mol

Monoisotopic Mass:

197.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

33A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Development of an online SPE-LC-MS-based assay using endogenous substrate for investigation of soluble epoxide hydrolase (sEH) inhibitors.	Analytical and bioanalytical chemistry 20110501
Toxicology in the fast lane: application of high-throughput bioassays to detect modulation of key enzymes and receptors.	Environmental health perspectives 20091201