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71239-22-0 | 5-acetyl-3-butan-2-yl-5-hydroxy-imidazolidine-2,4-dione
CAS No: 71239-22-0 Catalog No: AG005K1J MDL No:
Product Description
Catalog Number:
AG005K1J
Chemical Name:
5-acetyl-3-butan-2-yl-5-hydroxy-imidazolidine-2,4-dione
CAS Number:
71239-22-0
Molecular Formula:
C9H14N2O4
Molecular Weight:
214.2185
IUPAC Name:
5-acetyl-3-butan-2-yl-5-hydroxyimidazolidine-2,4-dione
InChI:
InChI=1S/C9H14N2O4/c1-4-5(2)11-7(13)9(15,6(3)12)10-8(11)14/h5,15H,4H2,1-3H3,(H,10,14)
InChI Key:
QLQXGYVMAPHAJX-UHFFFAOYSA-N
SMILES:
CCC(N1C(=O)NC(C1=O)(O)C(=O)C)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.221g/mol
Monoisotopic Mass:
214.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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