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Home > Nitro Compounds > 179894-08-7
179894-08-7 | Ethanone, 1-(3,3-dinitro-1-azetidinyl)-
CAS No: 179894-08-7 Catalog No: AG0027BZ MDL No:
Product Description
Catalog Number:
AG0027BZ
Chemical Name:
Ethanone, 1-(3,3-dinitro-1-azetidinyl)-
CAS Number:
179894-08-7
Molecular Formula:
C5H7N3O5
Molecular Weight:
189.1262
IUPAC Name:
1-(3,3-dinitroazetidin-1-yl)ethanone
InChI:
InChI=1S/C5H7N3O5/c1-4(9)6-2-5(3-6,7(10)11)8(12)13/h2-3H2,1H3
InChI Key:
WUPPVKDXJWDQDU-UHFFFAOYSA-N
SMILES:
CC(=O)N1CC(C1)([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.039g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.127g/mol
Monoisotopic Mass:
189.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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