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15998-06-8 | 1,3,5-Triazine-2,4(1H,3H)-dione, 6-methoxy-1,3-dimethyl-
CAS No: 15998-06-8 Catalog No: AG001RKI MDL No:
Product Description
Catalog Number:
AG001RKI
Chemical Name:
1,3,5-Triazine-2,4(1H,3H)-dione, 6-methoxy-1,3-dimethyl-
CAS Number:
15998-06-8
Molecular Formula:
C6H9N3O3
Molecular Weight:
171.1540
IUPAC Name:
6-methoxy-1,3-dimethyl-1,3,5-triazine-2,4-dione
InChI:
InChI=1S/C6H9N3O3/c1-8-4(10)7-5(12-3)9(2)6(8)11/h1-3H3
InChI Key:
PJUXOXVAXKOUDZ-UHFFFAOYSA-N
SMILES:
COc1nc(=O)n(c(=O)n1C)C
Properties
Complexity:
261
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:
1
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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