200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 918-37-6
918-37-6 | hexanitroethane
CAS No: 918-37-6 Catalog No: AG00H1NY MDL No:
Product Description
Catalog Number:
AG00H1NY
Chemical Name:
hexanitroethane
CAS Number:
918-37-6
IUPAC Name:
1,1,1,2,2,2-hexanitroethane
InChI:
InChI=1S/C2N6O12/c9-3(10)1(4(11)12,5(13)14)2(6(15)16,7(17)18)8(19)20
InChI Key:
CCAKQXWHJIKAST-UHFFFAOYSA-N
EC Number:
213-042-1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.957g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.052g/mol
Monoisotopic Mass:
299.957g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
275A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Molecular simulations of Hugoniots of detonation product mixtures at chemical equilibrium: microscopic calculation of the Chapman-Jouguet state. | The Journal of chemical physics 20070828 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.