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Home > Nitro Compounds > 87581-13-3
87581-13-3 | 2,5-Pyrrolidinedione, 1-[(3,4-dinitrobenzoyl)oxy]-
CAS No: 87581-13-3 Catalog No: AG004MBX MDL No:
Product Description
Catalog Number:
AG004MBX
Chemical Name:
2,5-Pyrrolidinedione, 1-[(3,4-dinitrobenzoyl)oxy]-
CAS Number:
87581-13-3
Molecular Formula:
C11H7N3O8
Molecular Weight:
309.1886
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3,4-dinitrobenzoate
InChI:
InChI=1S/C11H7N3O8/c15-9-3-4-10(16)12(9)22-11(17)6-1-2-7(13(18)19)8(5-6)14(20)21/h1-2,5H,3-4H2
InChI Key:
APRJHSBQIAEYIY-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1OC(=O)c1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
520
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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