Home Nitriles 4-cyclopropyl-3-oxobutanenitrile

4-cyclopropyl-3-oxobutanenitrile

CAS No.:
660448-91-9
Catalog Number:
AG01C5MU
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
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Product Description
Catalog Number:
AG01C5MU
Chemical Name:
4-cyclopropyl-3-oxobutanenitrile
CAS Number:
660448-91-9
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD16665722
IUPAC Name:
4-cyclopropyl-3-oxobutanenitrile
InChI:
InChI=1S/C7H9NO/c8-4-3-7(9)5-6-1-2-6/h6H,1-3,5H2
InChI Key:
ROMUGNYSBLAWAK-UHFFFAOYSA-N
SMILES:
N#CCC(=O)CC1CC1
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties