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111943-76-1 | 3,5-Isoxazolidinedione, 2,4-dimethyl-4-phenyl-
CAS No: 111943-76-1 Catalog No: AG007V9A MDL No:
Product Description
Catalog Number:
AG007V9A
Chemical Name:
3,5-Isoxazolidinedione, 2,4-dimethyl-4-phenyl-
CAS Number:
111943-76-1
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
IUPAC Name:
2,4-dimethyl-4-phenyl-1,2-oxazolidine-3,5-dione
InChI:
InChI=1S/C11H11NO3/c1-11(8-6-4-3-5-7-8)9(13)12(2)15-10(11)14/h3-7H,1-2H3
InChI Key:
OQRZZHDWHBSQFO-UHFFFAOYSA-N
SMILES:
CN1OC(=O)C(C1=O)(C)c1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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