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115-58-2 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-pentyl-
CAS No: 115-58-2 Catalog No: AG000FKP MDL No:
Product Description
Catalog Number:
AG000FKP
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-pentyl-
CAS Number:
115-58-2
Molecular Formula:
C11H18N2O3
Molecular Weight:
226.2722
IUPAC Name:
5-ethyl-5-pentyl-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C11H18N2O3/c1-3-5-6-7-11(4-2)8(14)12-10(16)13-9(11)15/h3-7H2,1-2H3,(H2,12,13,14,15,16)
InChI Key:
XYGXSCVUMIDZRR-UHFFFAOYSA-N
SMILES:
CCCCCC1(CC)C(=O)NC(=O)NC1=O
UNII:
NIZ732TDE0
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.276g/mol
Monoisotopic Mass:
226.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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