Home Nitriles 2-methyl-2-(4-oxooxolan-3-yl)propanenitrile

2-methyl-2-(4-oxooxolan-3-yl)propanenitrile

CAS No.:
1909324-83-9
Catalog Number:
AG01C1FG
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
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Product Description
Catalog Number:
AG01C1FG
Chemical Name:
2-methyl-2-(4-oxooxolan-3-yl)propanenitrile
CAS Number:
1909324-83-9
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD29047277
IUPAC Name:
2-methyl-2-(4-oxooxolan-3-yl)propanenitrile
InChI:
InChI=1S/C8H11NO2/c1-8(2,5-9)6-3-11-4-7(6)10/h6H,3-4H2,1-2H3
InChI Key:
WOYZIUAJIQNTAF-UHFFFAOYSA-N
SMILES:
N#CC(C1COCC1=O)(C)C
Properties
Complexity:
224  
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:
1  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties