Home Nitriles 2-ethoxy-2-(oxolan-3-yl)acetonitrile

2-ethoxy-2-(oxolan-3-yl)acetonitrile

CAS No.:
1496926-11-4
Catalog Number:
AG01BRMG
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
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Product Description
Catalog Number:
AG01BRMG
Chemical Name:
2-ethoxy-2-(oxolan-3-yl)acetonitrile
CAS Number:
1496926-11-4
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD21684198
IUPAC Name:
2-ethoxy-2-(oxolan-3-yl)acetonitrile
InChI:
InChI=1S/C8H13NO2/c1-2-11-8(5-9)7-3-4-10-6-7/h7-8H,2-4,6H2,1H3
InChI Key:
SUWKMRZQXXQNEK-UHFFFAOYSA-N
SMILES:
CCOC(C1COCC1)C#N
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties