Home Nitriles 4-(tert-butoxy)butanenitrile

4-(tert-butoxy)butanenitrile

CAS No.:
33563-86-9
Catalog Number:
AG019YPE
Molecular Formula:
C8H15NO
Molecular Weight:
141.2108
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Product Description
Catalog Number:
AG019YPE
Chemical Name:
4-(tert-butoxy)butanenitrile
CAS Number:
33563-86-9
Molecular Formula:
C8H15NO
Molecular Weight:
141.2108
MDL Number:
MFCD11196944
IUPAC Name:
4-[(2-methylpropan-2-yl)oxy]butanenitrile
InChI:
InChI=1S/C8H15NO/c1-8(2,3)10-7-5-4-6-9/h4-5,7H2,1-3H3
InChI Key:
PQXITQQCRAFSOP-UHFFFAOYSA-N
SMILES:
N#CCCCOC(C)(C)C
Properties
Complexity:
126  
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:
4  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties