Home Nitriles 2-ethoxy-2-(oxan-4-yl)acetonitrile

2-ethoxy-2-(oxan-4-yl)acetonitrile

CAS No.:
1465134-86-4
Catalog Number:
AG01BRMD
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
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Product Description
Catalog Number:
AG01BRMD
Chemical Name:
2-ethoxy-2-(oxan-4-yl)acetonitrile
CAS Number:
1465134-86-4
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
MDL Number:
MFCD21684124
IUPAC Name:
2-ethoxy-2-(oxan-4-yl)acetonitrile
InChI:
InChI=1S/C9H15NO2/c1-2-12-9(7-10)8-3-5-11-6-4-8/h8-9H,2-6H2,1H3
InChI Key:
ZQNWQOJPKDWENI-UHFFFAOYSA-N
SMILES:
CCOC(C1CCOCC1)C#N
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties