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827-16-7 | 1,3,5-Trimethyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
CAS No: 827-16-7 Catalog No: AG003ATP MDL No:MFCD00179925
Product Description
Catalog Number:
AG003ATP
Chemical Name:
1,3,5-Trimethyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
CAS Number:
827-16-7
Molecular Formula:
C6H9N3O3
Molecular Weight:
171.1540
MDL Number:
MFCD00179925
IUPAC Name:
1,3,5-trimethyl-1,3,5-triazinane-2,4,6-trione
InChI:
InChI=1S/C6H9N3O3/c1-7-4(10)8(2)6(12)9(3)5(7)11/h1-3H3
InChI Key:
AHWDQDMGFXRVFB-UHFFFAOYSA-N
SMILES:
O=c1n(C)c(=O)n(c(=O)n1C)C
NSC Number:
9322
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.156g/mol
Monoisotopic Mass:
171.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Cyanuric acid trace analysis by extractive methylation via phase-transfer catalysis and capillary gas chromatography coupled with flame thermoionic and mass-selective detection. Process parameter studies and kinetics. | Analytical chemistry 20030815 |
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