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834-90-2 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-cyclohexyl-5-methyl-
CAS No: 834-90-2 Catalog No: AG0050MV MDL No:
Product Description
Catalog Number:
AG0050MV
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-cyclohexyl-5-methyl-
CAS Number:
834-90-2
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
IUPAC Name:
1-cyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C11H16N2O3/c1-7-9(14)12-11(16)13(10(7)15)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,12,14,16)
InChI Key:
NOMGRDIADBNCNU-UHFFFAOYSA-N
SMILES:
CC1C(=O)NC(=O)N(C1=O)C1CCCCC1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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