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Home > Indoles and Oxindole > 103417-62-5
103417-62-5 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(nitrooxy)ethyl]-
CAS No: 103417-62-5 Catalog No: AG007XN7 MDL No:
Product Description
Catalog Number:
AG007XN7
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(nitrooxy)ethyl]-
CAS Number:
103417-62-5
Molecular Formula:
C10H8N2O5
Molecular Weight:
236.1809
IUPAC Name:
2-(1,3-dioxoisoindol-2-yl)ethyl nitrate
InChI:
InChI=1S/C10H8N2O5/c13-9-7-3-1-2-4-8(7)10(14)11(9)5-6-17-12(15)16/h1-4H,5-6H2
InChI Key:
ZRJKVZGEPHXMRJ-UHFFFAOYSA-N
SMILES:
O=C1N(CCO[N+](=O)[O-])C(=O)c2c1cccc2
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.043g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.183g/mol
Monoisotopic Mass:
236.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and pharmacological evaluation of novel hybrid compounds to treat sickle cell disease symptoms. | Journal of medicinal chemistry 20110825 |
| Assessment of the in vivo genotoxicity of new lead compounds to treat sickle cell disease. | Molecules (Basel, Switzerland) 20110406 |
| Mutagenicity of new lead compounds to treat sickle cell disease symptoms in a Salmonella/microsome assay. | International journal of molecular sciences 20100101 |
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