136332 1 2 3 4 5 8 8 6 6 6 1 2 3 3 4 5 4 5 2 2 2 2 1 5 255 1 2 3 4 5 5.4641 2 3.732 4.5981 2.866 1 -1 0 0.5 -0.5 0 Compound Canonicalized 5 2021.10.14 0 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 91.3 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 0000037100403000000000000000000000000000000000000000000000000000000000000000000A000000000008000080000000000000008800005000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C3O2/c4-2-1-3-5 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GNEVIACKFGQMHB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 67.989829239 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 68.03 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=C=O)=C=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=C=O)=C=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 34.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 67.989829239 5 0 0 0 0 0 0 0 1 -1