521350 1 2 3 4 5 6 7 8 8 6 6 6 6 6 1 2 3 3 4 5 6 7 4 5 6 7 2 2 2 2 2 2 1 5 255 1 2 3 4 5 6 7 7.1962 2 4.5981 5.4641 3.732 6.3301 2.866 1.5 -1.5 0 0.5 -0.5 1 -1 0 Compound Canonicalized 5 2019.01.04 0 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 183 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037100603000000000000000000000000000000000000000000000000000000000000000000A000000000008000080000000000000008800005000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5O2/c6-4-2-1-3-5-7 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BKMBQDLZBSCFGV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 91.989829239 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 92.05 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(=C=C=O)=C=C=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(=C=C=O)=C=C=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 34.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 91.989829239 7 0 0 0 0 0 0 0 1 -1