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Home > Nitro Compounds > 823813-71-4
823813-71-4 | 3-Hexene-1,5-diyne, 1,6-dinitro-3,4-bis(nitroethynyl)-
CAS No: 823813-71-4 Catalog No: AG0052W4 MDL No:
Product Description
Catalog Number:
AG0052W4
Chemical Name:
3-Hexene-1,5-diyne, 1,6-dinitro-3,4-bis(nitroethynyl)-
CAS Number:
823813-71-4
Molecular Formula:
C10N4O8
Molecular Weight:
304.1290
IUPAC Name:
1,6-dinitro-3,4-bis(2-nitroethynyl)hex-3-en-1,5-diyne
InChI:
InChI=1S/C10N4O8/c15-11(16)5-1-9(2-6-12(17)18)10(3-7-13(19)20)4-8-14(21)22
InChI Key:
QSAGRINNURBVEL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C#CC(=C(C#C[N+](=O)[O-])C#C[N+](=O)[O-])C#C[N+](=O)[O-]
Properties
Complexity:
705
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.972g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.13g/mol
Monoisotopic Mass:
303.972g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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