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Home > Indoles and Oxindole > 89024-43-1
89024-43-1 | 1H-Isoindole-1,3(2H)-dione, 5-nitro-2-[2-(nitrooxy)ethyl]-
CAS No: 89024-43-1 Catalog No: AG0042RP MDL No:
Product Description
Catalog Number:
AG0042RP
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 5-nitro-2-[2-(nitrooxy)ethyl]-
CAS Number:
89024-43-1
Molecular Formula:
C10H7N3O7
Molecular Weight:
281.1785
IUPAC Name:
2-(5-nitro-1,3-dioxoisoindol-2-yl)ethyl nitrate
InChI:
InChI=1S/C10H7N3O7/c14-9-7-2-1-6(12(16)17)5-8(7)10(15)11(9)3-4-20-13(18)19/h1-2,5H,3-4H2
InChI Key:
DYXKIFLTFRUEFH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)OCCN1C(=O)c2c(C1=O)cc(cc2)[N+](=O)[O-]
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.028g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.18g/mol
Monoisotopic Mass:
281.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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