Home Nitriles 1-methyl-3-oxocyclopentanecarbonitrile

1-methyl-3-oxocyclopentanecarbonitrile

CAS No.:
192433-18-4
Catalog Number:
AG01BTXO
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
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Product Description
Catalog Number:
AG01BTXO
Chemical Name:
1-methyl-3-oxocyclopentanecarbonitrile
CAS Number:
192433-18-4
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD24696604
IUPAC Name:
1-methyl-3-oxocyclopentane-1-carbonitrile
InChI:
InChI=1S/C7H9NO/c1-7(5-8)3-2-6(9)4-7/h2-4H2,1H3
InChI Key:
OOGKBJYFGKSSNR-UHFFFAOYSA-N
SMILES:
N#CC1(C)CCC(=O)C1
Properties
Complexity:
188  
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:
0
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties