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Home > Nitro Compounds > 133178-81-1
133178-81-1 | Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)-
CAS No: 133178-81-1 Catalog No: AG0014DE MDL No:
Product Description
Catalog Number:
AG0014DE
Chemical Name:
Propane, 2,2-dinitro-1-(2,2,2-trinitroethoxy)-
CAS Number:
133178-81-1
Molecular Formula:
C5H7N5O11
Molecular Weight:
313.1360
IUPAC Name:
2,2-dinitro-1-(2,2,2-trinitroethoxy)propane
InChI:
InChI=1S/C5H7N5O11/c1-4(6(11)12,7(13)14)2-21-3-5(8(15)16,9(17)18)10(19)20/h2-3H2,1H3
InChI Key:
YKAXXNUYOIDGPA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C([N+](=O)[O-])(COCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.014g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.135g/mol
Monoisotopic Mass:
313.014g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
238A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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