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Home > Nitro Compounds > 55100-59-9
55100-59-9 | 1,3-Dinitroadamantane
CAS No: 55100-59-9 Catalog No: AG01EACE MDL No:
Product Description
Catalog Number:
AG01EACE
Chemical Name:
1,3-Dinitroadamantane
CAS Number:
55100-59-9
IUPAC Name:
1,3-dinitroadamantane
InChI:
InChI=1S/C10H14N2O4/c13-11(14)9-2-7-1-8(4-9)5-10(3-7,6-9)12(15)16/h7-8H,1-6H2
InChI Key:
USKZHFZEQOROEM-UHFFFAOYSA-N
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.232g/mol
Monoisotopic Mass:
226.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Comparative modeling of HGPRT enzyme of L. donovani and binding affinities of different analogs of GMP. | International journal of biological macromolecules 20120401 |
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