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20977-51-9 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,3-dimethylbutyl)-5-ethyl-
CAS No: 20977-51-9 Catalog No: AG002KEE MDL No:
Product Description
Catalog Number:
AG002KEE
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3,3-dimethylbutyl)-5-ethyl-
CAS Number:
20977-51-9
Molecular Formula:
C12H20N2O3
Molecular Weight:
240.2988
IUPAC Name:
5-(3,3-dimethylbutyl)-5-ethyl-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C12H20N2O3/c1-5-12(7-6-11(2,3)4)8(15)13-10(17)14-9(12)16/h5-7H2,1-4H3,(H2,13,14,15,16,17)
InChI Key:
LHJQXZSHIGNAAM-UHFFFAOYSA-N
SMILES:
CCC1(CCC(C)(C)C)C(=O)NC(=O)NC1=O
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.303g/mol
Monoisotopic Mass:
240.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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