Home Nitriles 4-Ethoxyphenylacetonitrile

4-Ethoxyphenylacetonitrile

CAS No.:
6775-77-5
Catalog Number:
AG006JUR
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$100
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Product Description
Catalog Number:
AG006JUR
Chemical Name:
4-Ethoxyphenylacetonitrile
CAS Number:
6775-77-5
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD00016401
IUPAC Name:
2-(4-ethoxyphenyl)acetonitrile
InChI:
InChI=1S/C10H11NO/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3-6H,2,7H2,1H3
InChI Key:
PQXBQWKKJUWNDI-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)CC#N
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
5-(4-Ethoxy-benzyl)-1H-tetra-zole. Acta crystallographica. Section E, Structure reports online 20100201
Properties