66948 1 2 3 4 5 6 7 8 9 10 11 8 8 6 6 6 6 6 1 1 1 1 1 1 2 3 3 4 4 5 5 7 7 3 6 6 4 7 5 8 6 9 10 11 1 1 2 1 2 2 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 3.7601 5.5202 2.9511 3.2601 4.2601 4.5691 2 2.8956 4.6245 1.5392 1.8711 -0.7694 -0.4907 -0.1816 0.7694 0.7694 -0.1816 -0.4907 1.271 1.271 -0.0758 -1.0971 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 144 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 0000037180603000000000000000000000000000000100000000000000000000000000000000001A00000000000804808000000800000400880020D2080000080000000008080000004008040000210002100000000000A1800000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methylenefuran-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methylene-2-furanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methylidenefuran-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methylidenefuran-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methylidenefuran-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-methylenefuran-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C5H4O2/c1-4-2-3-5(6)7-4/h2-3H,1H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RNYZJZKPGHQTJR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 96.021129366 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C5H4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 96.08 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C=C1C=CC(=O)O1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C=C1C=CC(=O)O1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 26.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 96.021129366 7 0 0 0 0 0 0 0 1 -1