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30747-77-4 | 2,4-Imidazolidinedione, 5-butyl-1-phenyl-
CAS No: 30747-77-4 Catalog No: AG003147 MDL No:
Product Description
Catalog Number:
AG003147
Chemical Name:
2,4-Imidazolidinedione, 5-butyl-1-phenyl-
CAS Number:
30747-77-4
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
5-butyl-1-phenylimidazolidine-2,4-dione
InChI:
InChI=1S/C13H16N2O2/c1-2-3-9-11-12(16)14-13(17)15(11)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3,(H,14,16,17)
InChI Key:
HVTWCXCGQUCWER-UHFFFAOYSA-N
SMILES:
CCCCC1C(=O)NC(=O)N1c1ccccc1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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