Home Nitriles 2-ethyl-2-methoxybutanenitrile

2-ethyl-2-methoxybutanenitrile

CAS No.:
87271-70-3
Catalog Number:
AG01AFEY
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
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Product Description
Catalog Number:
AG01AFEY
Chemical Name:
2-ethyl-2-methoxybutanenitrile
CAS Number:
87271-70-3
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
MDL Number:
MFCD21684444
IUPAC Name:
2-ethyl-2-methoxybutanenitrile
InChI:
InChI=1S/C7H13NO/c1-4-7(5-2,6-8)9-3/h4-5H2,1-3H3
InChI Key:
FSAFOUOPIXABDR-UHFFFAOYSA-N
SMILES:
CCC(C#N)(OC)CC
Properties
Complexity:
118  
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:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties