Home Nitriles 2-(6-methoxynaphthalen-2-yl)propanenitrile

2-(6-methoxynaphthalen-2-yl)propanenitrile

CAS No.:
86603-94-3
Catalog Number:
AG019T57
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
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Product Description
Catalog Number:
AG019T57
Chemical Name:
2-(6-methoxynaphthalen-2-yl)propanenitrile
CAS Number:
86603-94-3
Molecular Formula:
C14H13NO
Molecular Weight:
211.2591
MDL Number:
MFCD02068377
IUPAC Name:
2-(6-methoxynaphthalen-2-yl)propanenitrile
InChI:
InChI=1S/C14H13NO/c1-10(9-15)11-3-4-13-8-14(16-2)6-5-12(13)7-11/h3-8,10H,1-2H3
InChI Key:
QAILMFURFUYAJA-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc2c(c1)ccc(c2)OC)C
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.1g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.264g/mol
Monoisotopic Mass:
211.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties