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3457-90-7 | DIPROPYLENEGLYCOL1,3-DINITRATE
CAS No: 3457-90-7 Catalog No: AG00CJLQ MDL No:
Product Description
Catalog Number:
AG00CJLQ
Chemical Name:
DIPROPYLENEGLYCOL1,3-DINITRATE
CAS Number:
3457-90-7
IUPAC Name:
3-nitrooxypropyl nitrate
InChI:
InChI=1S/C3H6N2O6/c6-4(7)10-2-1-3-11-5(8)9/h1-3H2
InChI Key:
KOSAMXZBGUIISK-UHFFFAOYSA-N
NSC Number:
62613
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.023g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.089g/mol
Monoisotopic Mass:
166.023g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Dinitroglyceryl and diazen-1-ium-1,2-diolated nitric oxide donor ester prodrugs of aspirin, indomethacin and ibuprofen: synthesis, biological evaluation and nitric oxide release studies. | Bioorganic & medicinal chemistry letters 20090601 |
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