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Home > Nitro Compounds > 13184-80-0
13184-80-0 | 1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-[(nitrooxy)methyl]-, 1,1',3,3'-tetranitrate
CAS No: 13184-80-0 Catalog No: AG000ZTR MDL No:
Product Description
Catalog Number:
AG000ZTR
Chemical Name:
1,3-Propanediol, 2,2'-[oxybis(methylene)]bis[2-[(nitrooxy)methyl]-, 1,1',3,3'-tetranitrate
CAS Number:
13184-80-0
Molecular Formula:
C10H28N6O25
Molecular Weight:
632.3545
IUPAC Name:
[3-nitrooxy-2-[[3-nitrooxy-2,2-bis(nitrooxymethyl)propoxy]methyl]-2-(nitrooxymethyl)propyl] nitrate
InChI:
InChI=1S/C10H16N6O19/c17-11(18)30-3-9(4-31-12(19)20,5-32-13(21)22)1-29-2-10(6-33-14(23)24,7-34-15(25)26)8-35-16(27)28/h1-8H2
InChI Key:
BGXZDPSXQZVBGX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)O.[O-][N+](=O)O.[O-][N+](=O)O.[O-][N+](=O)O.[O-][N+](=O)O.[O-][N+](=O)O.OCC(COCC(CO)(CO)CO)(CO)CO
EC Number:
236-135-9
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
524.047g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
524.261g/mol
Monoisotopic Mass:
524.047g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
340A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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