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13106-85-9 | Pyrimidine, 2,4,6-trimethoxy-
CAS No: 13106-85-9 Catalog No: AG000VGQ MDL No:MFCD00829225
Product Description
Catalog Number:
AG000VGQ
Chemical Name:
Pyrimidine, 2,4,6-trimethoxy-
CAS Number:
13106-85-9
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
MDL Number:
MFCD00829225
IUPAC Name:
2,4,6-trimethoxypyrimidine
InChI:
InChI=1S/C7H10N2O3/c1-10-5-4-6(11-2)9-7(8-5)12-3/h4H,1-3H3
InChI Key:
RJVAFLZWVUIBOU-UHFFFAOYSA-N
SMILES:
COc1cc(OC)nc(n1)OC
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.168g/mol
Monoisotopic Mass:
170.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Photolysis of the herbicide bispyribac sodium in aqueous medium under the influence of UV and sunlight in presence or absence of sensitizers. | Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes 20091101 |
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