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877-89-4 | 2,4,6-Trimethoxy-1,3,5-triazine
CAS No: 877-89-4 Catalog No: AG004FA0 MDL No:MFCD00142809
Product Description
Catalog Number:
AG004FA0
Chemical Name:
2,4,6-Trimethoxy-1,3,5-triazine
CAS Number:
877-89-4
Molecular Formula:
C6H9N3O3
Molecular Weight:
171.1540
MDL Number:
MFCD00142809
IUPAC Name:
2,4,6-trimethoxy-1,3,5-triazine
InChI:
InChI=1S/C6H9N3O3/c1-10-4-7-5(11-2)9-6(8-4)12-3/h1-3H3
InChI Key:
DFUGJTBMQKRCPI-UHFFFAOYSA-N
SMILES:
COc1nc(OC)nc(n1)OC
EC Number:
212-896-2
Properties
Complexity:
99.4
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:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.156g/mol
Monoisotopic Mass:
171.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| Selective determination of melamine in aqueous medium by molecularly imprinted solid phase extraction. | Journal of agricultural and food chemistry 20101124 |
| Reactions of hydrated electrons with triazine derivatives in aqueous medium. | Journal of agricultural and food chemistry 20061018 |
| Different packing in three polymorphs of 2,4,6-trimethoxy-1,3,5-triazine. | Acta crystallographica. Section B, Structural science 20040201 |
| Irreversible single-crystal to polycrystal and reversible single-crystal to single-crystal phase transformations in cyanurates. | Acta crystallographica. Section B, Structural science 20011201 |
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