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Home Nitriles 7-Methoxy-1-naphthylacetonitrile

7-Methoxy-1-naphthylacetonitrile

CAS No.:
138113-08-3
Catalog Number:
AG00180S
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$73
- +
5g
98%
In Stock USA
United States
$193
- +
Product Description
Catalog Number:
AG00180S
Chemical Name:
7-Methoxy-1-naphthylacetonitrile
CAS Number:
138113-08-3
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
MDL Number:
MFCD08704309
IUPAC Name:
2-(7-methoxynaphthalen-1-yl)acetonitrile
InChI:
InChI=1S/C13H11NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h2-6,9H,7H2,1H3
InChI Key:
PYJMGUQHJINLLD-UHFFFAOYSA-N
SMILES:
N#CCc1cccc2c1cc(OC)cc2
EC Number:
461-670-1
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
2-(7-Meth-oxy-1-naphth-yl)acetonitrile. Acta crystallographica. Section E, Structure reports online 20100701
Properties