9548819 1 2 3 4 5 6 7 8 9 10 11 8 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 5 6 5 6 3 4 7 5 8 6 9 10 11 2 1 2 1 1 1 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 2.866 2.866 2 3.732 2 3.732 2.866 1.4631 4.269 1.4631 4.269 -1 1 0.5 0.5 -0.5 -0.5 1.62 0.81 0.81 -0.81 -0.81 8 8 8 8 8 8 1 1 2 2 3 4 5 6 3 4 5 6 1 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 30.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180602000000000000000000000000000000000000000240000000000000000018000001A00000000000800A090023004800004408800285280000208002420000888010608C80C263284351A823920A4C01108A9868800000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pyrylium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pyrylium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pyrylium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pyrylium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pyrylium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pyrylium InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C5H5O/c1-2-4-6-5-3-1/h1-5H/q+1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WVIICGIFSIBFOG-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 81.034039779 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C5H5O+ Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 81.09 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=[O+]C=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=[O+]C=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 81.034039779 6 0 0 0 0 0 0 0 1 -1