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Home > Nitro Compounds > 87581-19-9
87581-19-9 | 2,5-Pyrrolidinedione, 1-[(3,5-dinitrobenzoyl)oxy]-
CAS No: 87581-19-9 Catalog No: AG004IYE MDL No:
Product Description
Catalog Number:
AG004IYE
Chemical Name:
2,5-Pyrrolidinedione, 1-[(3,5-dinitrobenzoyl)oxy]-
CAS Number:
87581-19-9
Molecular Formula:
C11H7N3O8
Molecular Weight:
309.1886
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3,5-dinitrobenzoate
InChI:
InChI=1S/C11H7N3O8/c15-9-1-2-10(16)12(9)22-11(17)6-3-7(13(18)19)5-8(4-6)14(20)21/h3-5H,1-2H2
InChI Key:
ILBUGWXZAHOELJ-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.023g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.19g/mol
Monoisotopic Mass:
309.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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