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83-29-4 | 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-methylbutyl)-
CAS No: 83-29-4 Catalog No: AG004XGM MDL No:
Product Description
Catalog Number:
AG004XGM
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-methylbutyl)-
CAS Number:
83-29-4
Molecular Formula:
C9H14N2O3
Molecular Weight:
198.2191
IUPAC Name:
5-pentan-2-yl-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C9H14N2O3/c1-3-4-5(2)6-7(12)10-9(14)11-8(6)13/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13,14)
InChI Key:
QSELDKYOARDOCZ-UHFFFAOYSA-N
SMILES:
CCCC(C1C(=O)NC(=O)NC1=O)C
EC Number:
201-465-4
NSC Number:
92501
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.222g/mol
Monoisotopic Mass:
198.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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