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Home > Nitro Compounds > 83039-58-1
83039-58-1 | 2,5-Pyrrolidinedione, 1-[[(2-nitrophenyl)acetyl]oxy]-
CAS No: 83039-58-1 Catalog No: AG0052NV MDL No:
Product Description
Catalog Number:
AG0052NV
Chemical Name:
2,5-Pyrrolidinedione, 1-[[(2-nitrophenyl)acetyl]oxy]-
CAS Number:
83039-58-1
Molecular Formula:
C12H10N2O6
Molecular Weight:
278.2176
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 2-(2-nitrophenyl)acetate
InChI:
InChI=1S/C12H10N2O6/c15-10-5-6-11(16)13(10)20-12(17)7-8-3-1-2-4-9(8)14(18)19/h1-4H,5-7H2
InChI Key:
QLQURGIYGCPNAH-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccccc1[N+](=O)[O-])ON1C(=O)CCC1=O
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.22g/mol
Monoisotopic Mass:
278.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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