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Home > Nitro Compounds > 823813-70-3
823813-70-3 | 3-Hexene-1,5-diyne, 3-ethynyl-1,6-dinitro-4-(nitroethynyl)-
CAS No: 823813-70-3 Catalog No: AG005C3J MDL No:
Product Description
Catalog Number:
AG005C3J
Chemical Name:
3-Hexene-1,5-diyne, 3-ethynyl-1,6-dinitro-4-(nitroethynyl)-
CAS Number:
823813-70-3
Molecular Formula:
C10HN3O6
Molecular Weight:
259.1314
IUPAC Name:
3-ethynyl-1,6-dinitro-4-(2-nitroethynyl)hex-3-en-1,5-diyne
InChI:
InChI=1S/C10HN3O6/c1-2-9(3-6-11(14)15)10(4-7-12(16)17)5-8-13(18)19/h1H
InChI Key:
BHSOPXGDGGIATM-UHFFFAOYSA-N
SMILES:
C#CC(=C(C#C[N+](=O)[O-])C#C[N+](=O)[O-])C#C[N+](=O)[O-]
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.987g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.133g/mol
Monoisotopic Mass:
258.987g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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