92964-43-7 Purity
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The molecular formula of 1,3,4,6-Tetraoxa-2,5-diazadicyclopenta[cd,gh]pentalene(9ci) is C6N2O4.
The molecular weight of 1,3,4,6-Tetraoxa-2,5-diazadicyclopenta[cd,gh]pentalene(9ci) is 164.07 g/mol.
The IUPAC name of 1,3,4,6-Tetraoxa-2,5-diazadicyclopenta[cd,gh]pentalene(9ci) is 2,5,7,12-tetraoxa-3,8-diazatetracyclo[7.2.1.0 4,11 .0 6,10]dodeca-1(11),3,6(10),8-tetraene.
The InChI of 1,3,4,6-Tetraoxa-2,5-diazadicyclopenta[cd,gh]pentalene(9ci) is InChI=1S/C6N2O4/c7-3-1-2-4(10-5(1)11-7)8-12-6(2)9-3.
The InChIKey of 1,3,4,6-Tetraoxa-2,5-diazadicyclopenta[cd,gh]pentalene(9ci) is RWILJXRIFDFVRI-UHFFFAOYSA-N.
The canonical SMILES of 1,3,4,6-Tetraoxa-2,5-diazadicyclopenta[cd,gh]pentalene(9ci) is C12=C3OC4=NOC(=C41)OC2=NO3.
The XLogP3-AA value of 1,3,4,6-Tetraoxa-2,5-diazadicyclopenta[cd,gh]pentalene(9ci) is 1.7.
1,3,4,6-Tetraoxa-2,5-diazadicyclopenta[cd,gh]pentalene(9ci) has 0 hydrogen bond donor counts.
1,3,4,6-Tetraoxa-2,5-diazadicyclopenta[cd,gh]pentalene(9ci) has 6 hydrogen bond acceptor counts.
1,3,4,6-Tetraoxa-2,5-diazadicyclopenta[cd,gh]pentalene(9ci) has 0 rotatable bond counts.