7923 1 2 3 4 5 6 7 8 9 8 8 8 6 6 6 6 1 1 1 1 2 3 4 4 4 5 5 6 7 6 7 5 6 8 7 9 1 1 2 2 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 3.7601 5.5202 2 4.2601 3.2601 4.5691 2.9511 4.6245 2.8956 -0.7694 -0.4907 -0.4907 0.7694 0.7694 -0.1816 -0.1816 1.271 1.271 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 129 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037100603000000000000000000000000000000100000000000000000000000000000000001A00000000000800808000000800000400880020D208000000000000000808000000400004000020000210000000000021800000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 furan-2,5-dione IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 furan-2,5-dione IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 furan-2,5-dione IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 furan-2,5-dione IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 furan-2,5-quinone InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 FPYJFEHAWHCUMM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -0.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 98.000394 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C4H2O3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 98.05688 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC(=O)OC1=O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC(=O)OC1=O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 43.4 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 98.000394 7 0 0 0 0 0 0 0 1 1