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Home > Nitro Compounds > 82390-99-6
82390-99-6 | 9-Oxabicyclo[3.3.1]nonane, 1-(2,4-dinitrophenoxy)-
CAS No: 82390-99-6 Catalog No: AG004WZK MDL No:
Product Description
Catalog Number:
AG004WZK
Chemical Name:
9-Oxabicyclo[3.3.1]nonane, 1-(2,4-dinitrophenoxy)-
CAS Number:
82390-99-6
Molecular Formula:
C14H16N2O6
Molecular Weight:
308.2866
IUPAC Name:
1-(2,4-dinitrophenoxy)-9-oxabicyclo[3.3.1]nonane
InChI:
InChI=1S/C14H16N2O6/c17-15(18)10-5-6-13(12(9-10)16(19)20)22-14-7-1-3-11(21-14)4-2-8-14/h5-6,9,11H,1-4,7-8H2
InChI Key:
STLVXMGQDWMUHS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1OC12CCCC(O2)CCC1)[N+](=O)[O-]
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.29g/mol
Monoisotopic Mass:
308.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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