Home Nitriles 3-oxo-3-(tetrahydrofuran-3-yl)propanenitrile

3-oxo-3-(tetrahydrofuran-3-yl)propanenitrile

CAS No.:
1186610-03-6
Catalog Number:
AG0091P7
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
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Product Description
Catalog Number:
AG0091P7
Chemical Name:
3-oxo-3-(tetrahydrofuran-3-yl)propanenitrile
CAS Number:
1186610-03-6
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
IUPAC Name:
3-oxo-3-(oxolan-3-yl)propanenitrile
InChI:
InChI=1S/C7H9NO2/c8-3-1-7(9)6-2-4-10-5-6/h6H,1-2,4-5H2
InChI Key:
FUXCNUVQVSLRSP-UHFFFAOYSA-N
SMILES:
N#CCC(=O)C1COCC1
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties