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101098-71-9 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)-
CAS No: 101098-71-9 Catalog No: AG0003QJ MDL No:
Product Description
Catalog Number:
AG0003QJ
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,7-dimethyloctyl)-
CAS Number:
101098-71-9
Molecular Formula:
C14H24N2O3
Molecular Weight:
268.3520
IUPAC Name:
5-(3,7-dimethyloctyl)-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C14H24N2O3/c1-9(2)5-4-6-10(3)7-8-11-12(17)15-14(19)16-13(11)18/h9-11H,4-8H2,1-3H3,(H2,15,16,17,18,19)
InChI Key:
LTNFEXOLEMCQMK-UHFFFAOYSA-N
SMILES:
CC(CCCC(C)C)CCC1C(=O)NC(=O)NC1=O
NSC Number:
126559
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.179g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.357g/mol
Monoisotopic Mass:
268.179g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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