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89566-19-8 | 1,2,4,5-Tetrazinium, 3,4,5,6-tetrahydro-1,4-dimethyl-3,6-dioxo-
CAS No: 89566-19-8 Catalog No: AG003ZBZ MDL No:
Product Description
Catalog Number:
AG003ZBZ
Chemical Name:
1,2,4,5-Tetrazinium, 3,4,5,6-tetrahydro-1,4-dimethyl-3,6-dioxo-
CAS Number:
89566-19-8
Molecular Formula:
C4H7N4O2+
Molecular Weight:
143.1240
IUPAC Name:
2,5-dimethyl-1H-1,2,4,5-tetrazin-5-ium-3,6-dione
InChI:
InChI=1S/C4H6N4O2/c1-7-3(9)6-8(2)4(10)5-7/h1-2H3/p+1
InChI Key:
FJGOHSFMTDDEEI-UHFFFAOYSA-O
SMILES:
O=c1[nH]n(C)c(=O)n[n+]1C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.057g/mol
Formal Charge:
1
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
143.126g/mol
Monoisotopic Mass:
143.057g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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