Home Nitriles 3-(oxan-3-yl)-3-oxopropanenitrile

3-(oxan-3-yl)-3-oxopropanenitrile

CAS No.:
1343316-35-7
Catalog Number:
AG01BGUC
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
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Product Description
Catalog Number:
AG01BGUC
Chemical Name:
3-(oxan-3-yl)-3-oxopropanenitrile
CAS Number:
1343316-35-7
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD17275101
IUPAC Name:
3-(oxan-3-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C8H11NO2/c9-4-3-8(10)7-2-1-5-11-6-7/h7H,1-3,5-6H2
InChI Key:
ZNUMXSDGOZCHPG-UHFFFAOYSA-N
SMILES:
N#CCC(=O)C1CCCOC1
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties