CAS
950482-79-8 Purity
96%
950482-79-8 Purity
96%
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Molecular Formula: C22H11NO2
Created: 2005-08-08
Modified: 2023-12-30
IUPAC Name: 6-nitrohexacyclo[16.3.1.0 2,7 .0 8,21 .0 11,20 .0 14,19 ]docosa-1(22),2(7),3,5,8(21),9,11(20),12,14(19),15,17-undecaene
InChIKey: UBYQOQMCSPXBEG-UHFFFAOYSA-N
Canonical SMILES: C1=CC2=C3C(=C1)C=C4C5=C(C6=C4C3=C(C=C2)C=C6)C(=CC=C5)[N+](=O)[O-]
Molecular Weight: 321.3 g/mol
Hydrogen Bond Donor Count: 0
XLogP3-AA: 6.2
Topological Polar Surface Area: 45.8 Ų
Compound Is Canonicalized: Yes