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865061-51-4 | 1-Piperazinecarboperoxoicacid, 4-methyl-
CAS No: 865061-51-4 Catalog No: AG004M0Q MDL No:
Product Description
Catalog Number:
AG004M0Q
Chemical Name:
1-Piperazinecarboperoxoicacid, 4-methyl-
CAS Number:
865061-51-4
Molecular Formula:
C6H12N2O3
Molecular Weight:
160.1711
IUPAC Name:
4-methylpiperazine-1-carboperoxoic acid
InChI:
InChI=1S/C6H12N2O3/c1-7-2-4-8(5-3-7)6(9)11-10/h10H,2-5H2,1H3
InChI Key:
FZEDEUMLMRLVSO-UHFFFAOYSA-N
SMILES:
OOC(=O)N1CCN(CC1)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.085g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.173g/mol
Monoisotopic Mass:
160.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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