Home Nitriles 4-(propan-2-yloxy)butanenitrile

4-(propan-2-yloxy)butanenitrile

CAS No.:
33563-84-7
Catalog Number:
AG01A6A8
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
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Product Description
Catalog Number:
AG01A6A8
Chemical Name:
4-(propan-2-yloxy)butanenitrile
CAS Number:
33563-84-7
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
MDL Number:
MFCD09938370
IUPAC Name:
4-propan-2-yloxybutanenitrile
InChI:
InChI=1S/C7H13NO/c1-7(2)9-6-4-3-5-8/h7H,3-4,6H2,1-2H3
InChI Key:
RNFRXIFBMRGYDJ-UHFFFAOYSA-N
SMILES:
N#CCCCOC(C)C
Properties
Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties