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87693-72-9

87693-72-9 | 2,6-Piperazinedione, 4-(cyclohexylcarbonyl)-, 2,6-dioxime

CAS No: 87693-72-9 Catalog No: AG004NS3 MDL No:

Product Description

Catalog Number:
AG004NS3
Chemical Name:
2,6-Piperazinedione, 4-(cyclohexylcarbonyl)-, 2,6-dioxime
CAS Number:
87693-72-9
Molecular Formula:
C11H18N4O3
Molecular Weight:
254.2856
IUPAC Name:
cyclohexyl-[3-(hydroxyamino)-5-hydroxyimino-2,6-dihydropyrazin-1-yl]methanone
InChI:
InChI=1S/C11H18N4O3/c16-11(8-4-2-1-3-5-8)15-6-9(13-17)12-10(7-15)14-18/h8,17-18H,1-7H2,(H,12,13,14)
InChI Key:
DKTNDTXTXVIPNS-UHFFFAOYSA-N
SMILES:
ON=C1CN(CC(=NO)N1)C(=O)C1CCCCC1

Properties

Complexity:
375  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.138g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
254.29g/mol
Monoisotopic Mass:
254.138g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.6  

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