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Home > Nitro Compounds > 129660-17-9
129660-17-9 | Azetidine, 3,3-dinitro-
CAS No: 129660-17-9 Catalog No: AG000ZA3 MDL No:
Product Description
Catalog Number:
AG000ZA3
Chemical Name:
Azetidine, 3,3-dinitro-
CAS Number:
129660-17-9
Molecular Formula:
C3H5N3O4
Molecular Weight:
147.0895
IUPAC Name:
3,3-dinitroazetidine
InChI:
InChI=1S/C3H5N3O4/c7-5(8)3(6(9)10)1-4-2-3/h4H,1-2H2
InChI Key:
DROLGCKUCMGNSF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1(CNC1)[N+](=O)[O-]
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.028g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.09g/mol
Monoisotopic Mass:
147.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| 3,3-Dinitro-azetidinium 2-hy-droxy-benzoate. | Acta crystallographica. Section E, Structure reports online 20101101 |
| 1-Benzoyl-3,3-dinitro-azetidine. | Acta crystallographica. Section E, Structure reports online 20100101 |
| Preparation, non-isothermal decomposition kinetics, heat capacity and adiabatic time-to-explosion of NTOxDNAZ. | Journal of hazardous materials 20090930 |
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