Home Nitriles 3-Butenenitrile, 2-(1-ethoxyethoxy)-

3-Butenenitrile, 2-(1-ethoxyethoxy)-

CAS No.:
72252-03-0
Catalog Number:
AG005UM6
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
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Product Description
Catalog Number:
AG005UM6
Chemical Name:
3-Butenenitrile, 2-(1-ethoxyethoxy)-
CAS Number:
72252-03-0
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD19440667
IUPAC Name:
2-(1-ethoxyethoxy)but-3-enenitrile
InChI:
InChI=1S/C8H13NO2/c1-4-8(6-9)11-7(3)10-5-2/h4,7-8H,1,5H2,2-3H3
InChI Key:
DKWKABSGUBNNFI-UHFFFAOYSA-N
SMILES:
CC(OCC)OC(C#N)C=C
Properties
Complexity:
159  
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:
5  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties