Home Nitriles 3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile

3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile

CAS No.:
219620-30-1
Catalog Number:
AG019VWU
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
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Product Description
Catalog Number:
AG019VWU
Chemical Name:
3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile
CAS Number:
219620-30-1
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
MDL Number:
MFCD00276691
IUPAC Name:
3-(2,6-dimethylmorpholin-4-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H14N2O2/c1-7-5-11(6-8(2)13-7)9(12)3-4-10/h7-8H,3,5-6H2,1-2H3
InChI Key:
MVTWXVWAQWYWIM-UHFFFAOYSA-N
SMILES:
CC1OC(C)CN(C1)C(=O)CC#N
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties