10341 1 2 3 4 5 6 7 8 9 10 8 8 6 6 6 6 1 1 1 1 1 1 2 3 3 3 4 4 5 5 3 6 6 4 7 8 5 9 6 10 1 1 2 1 1 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 2.8090169429779 4.5690903663635 2 2.3090169429779 3.3090169429779 3.6180338859558 1.4336018562317 1.6900000572205 1.9445900917053 3.6734437942505 -0.769420862197876 -0.490652620792389 -0.181635633111 0.769420862197876 0.769420862197876 -0.181635633111 0.0705410689115524 -0.718571364879608 1.2710113525391 1.2710113525391 8 8 8 8 8 1 1 3 4 5 3 6 4 5 6 0 Compound Canonicalized 5 2007.06.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 93.7 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 0000037180603000000000000000000000000000000100000000000000000000000000000000001A00000000000800A08002000800000400880020D208000000000000000808000000400004000021000210000000000021800000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2H-furan-5-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2H-furan-5-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2<I>H</I>-furan-5-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2H-furan-5-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2H-furan-5-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2H-furan-5-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VIHAEDVKXSOUAT-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -0.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 84.021129366 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C4H4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 84.07 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1C=CC(=O)O1 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1C=CC(=O)O1 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 26.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 84.021129366 6 0 0 0 0 0 0 0 1 -1