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89508-10-1 | 2,6-Piperazinedione, 4-(1-oxo-2-propylpentyl)-, 2,6-dioxime
CAS No: 89508-10-1 Catalog No: AG00419O MDL No:
Product Description
Catalog Number:
AG00419O
Chemical Name:
2,6-Piperazinedione, 4-(1-oxo-2-propylpentyl)-, 2,6-dioxime
CAS Number:
89508-10-1
Molecular Formula:
C12H22N4O3
Molecular Weight:
270.3281
IUPAC Name:
1-[3-(hydroxyamino)-5-hydroxyimino-2,6-dihydropyrazin-1-yl]-2-propylpentan-1-one
InChI:
InChI=1S/C12H22N4O3/c1-3-5-9(6-4-2)12(17)16-7-10(14-18)13-11(8-16)15-19/h9,18-19H,3-8H2,1-2H3,(H,13,14,15)
InChI Key:
PLTRLQSHEDJJED-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)N1CC(=NO)NC(=NO)C1)CCC
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.169g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
270.333g/mol
Monoisotopic Mass:
270.169g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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