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6946-00-5 | 5-butyl-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CAS No: 6946-00-5 Catalog No: AG005Z23 MDL No:
Product Description
Catalog Number:
AG005Z23
Chemical Name:
5-butyl-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CAS Number:
6946-00-5
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
IUPAC Name:
5-butyl-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
InChI:
InChI=1S/C13H16N2O3/c1-2-3-8-13(11(17)14-12(18)15-13)9-4-6-10(16)7-5-9/h4-7,16H,2-3,8H2,1H3,(H2,14,15,17,18)
InChI Key:
FEUXQPATFAVTMG-UHFFFAOYSA-N
SMILES:
CCCCC1(NC(=O)NC1=O)c1ccc(cc1)O
NSC Number:
52919
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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