Home Nitriles 3-(3-methylbutoxy)propanenitrile

3-(3-methylbutoxy)propanenitrile

CAS No.:
58936-29-1
Catalog Number:
AG01DWIL
Molecular Formula:
C8H15NO
Molecular Weight:
141.2108
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Product Description
Catalog Number:
AG01DWIL
Chemical Name:
3-(3-methylbutoxy)propanenitrile
CAS Number:
58936-29-1
Molecular Formula:
C8H15NO
Molecular Weight:
141.2108
MDL Number:
MFCD09929612
IUPAC Name:
3-(3-methylbutoxy)propanenitrile
InChI:
InChI=1S/C8H15NO/c1-8(2)4-7-10-6-3-5-9/h8H,3-4,6-7H2,1-2H3
InChI Key:
YPLSXACEKBMGTH-UHFFFAOYSA-N
SMILES:
N#CCCOCCC(C)C
Properties
Complexity:
112  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.115g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.214g/mol
Monoisotopic Mass:
141.115g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties