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

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

CAS No.:
71056-96-7
Catalog Number:
AG005ESH
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
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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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties