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105685-95-8 | Imidazolidinetrione, (1,3-dimethylbutyl)-
CAS No: 105685-95-8 Catalog No: AG00845X MDL No:
Product Description
Catalog Number:
AG00845X
Chemical Name:
Imidazolidinetrione, (1,3-dimethylbutyl)-
CAS Number:
105685-95-8
Molecular Formula:
C9H14N2O3
Molecular Weight:
198.2191
IUPAC Name:
1-(4-methylpentan-2-yl)imidazolidine-2,4,5-trione
InChI:
InChI=1S/C9H14N2O3/c1-5(2)4-6(3)11-8(13)7(12)10-9(11)14/h5-6H,4H2,1-3H3,(H,10,12,14)
InChI Key:
SMHAATMNFCTEOO-UHFFFAOYSA-N
SMILES:
CC(CC(N1C(=O)NC(=O)C1=O)C)C
Properties
Complexity:
286
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:
1
Isotope Atom Count:
0
Molecular Weight:
198.222g/mol
Monoisotopic Mass:
198.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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