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886053-12-9 | 2,5-Pyrrolidinedione, 1-[[[(benzoyloxy)methoxy]carbonyl]oxy]-
CAS No: 886053-12-9 Catalog No: AG004CBN MDL No:
Product Description
Catalog Number:
AG004CBN
Chemical Name:
2,5-Pyrrolidinedione, 1-[[[(benzoyloxy)methoxy]carbonyl]oxy]-
CAS Number:
886053-12-9
Molecular Formula:
C13H11NO7
Molecular Weight:
293.2289
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl benzoate
InChI:
InChI=1S/C13H11NO7/c15-10-6-7-11(16)14(10)21-13(18)20-8-19-12(17)9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key:
AVJVDICYLYUKJN-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)OCOC(=O)c1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.054g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.231g/mol
Monoisotopic Mass:
293.054g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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