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52236-30-3 | 1,2,4-Triazine-3,5(2H,4H)-dione, 6-(1,1-dimethylethyl)-
CAS No: 52236-30-3 Catalog No: AG00396X MDL No:
Product Description
Catalog Number:
AG00396X
Chemical Name:
1,2,4-Triazine-3,5(2H,4H)-dione, 6-(1,1-dimethylethyl)-
CAS Number:
52236-30-3
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
IUPAC Name:
6-tert-butyl-2H-1,2,4-triazine-3,5-dione
InChI:
InChI=1S/C7H11N3O2/c1-7(2,3)4-5(11)8-6(12)10-9-4/h1-3H3,(H2,8,10,11,12)
InChI Key:
ZARIFGFXSIZTAK-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)[nH]nc1C(C)(C)C
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Large volume sample stacking in capillary zone electrophoresis for the monitoring of the degradation products of metribuzin in environmental samples. | Journal of chromatography. A 20070914 |
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