Home Nitriles 4-(2-oxocyclopentyl)oxane-4-carbonitrile

4-(2-oxocyclopentyl)oxane-4-carbonitrile

CAS No.:
1864063-27-3
Catalog Number:
AG01AP3R
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
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Product Description
Catalog Number:
AG01AP3R
Chemical Name:
4-(2-oxocyclopentyl)oxane-4-carbonitrile
CAS Number:
1864063-27-3
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD29034392
IUPAC Name:
4-(2-oxocyclopentyl)oxane-4-carbonitrile
InChI:
InChI=1S/C11H15NO2/c12-8-11(4-6-14-7-5-11)9-2-1-3-10(9)13/h9H,1-7H2
InChI Key:
JXMFSUZVVYKUCC-UHFFFAOYSA-N
SMILES:
N#CC1(CCOCC1)C1CCCC1=O
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/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