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Home > Nitro Compounds > 825667-26-3
825667-26-3 | 1,3,5,7,9,11-Dodecahexayne, 1,12-dinitro-
CAS No: 825667-26-3 Catalog No: AG0052YQ MDL No:
Product Description
Catalog Number:
AG0052YQ
Chemical Name:
1,3,5,7,9,11-Dodecahexayne, 1,12-dinitro-
CAS Number:
825667-26-3
Molecular Formula:
C12N2O4
Molecular Weight:
236.1394
IUPAC Name:
1,12-dinitrododeca-1,3,5,7,9,11-hexayne
InChI:
InChI=1S/C12N2O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18
InChI Key:
GUZTTYMGCOEWGR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C#CC#CC#CC#CC#CC#C[N+](=O)[O-]
Properties
Complexity:
714
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.986g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.142g/mol
Monoisotopic Mass:
235.986g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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