7302 1 2 3 4 5 6 7 8 9 10 11 12 8 8 6 6 6 6 1 1 1 1 1 1 1 1 2 3 3 3 3 4 4 4 5 5 5 6 6 4 5 7 8 6 9 10 11 12 1 1 2 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 2.809 4.5691 2.309 3.309 2 3.618 2.3738 1.7026 3.9155 3.2442 1.4336 1.69 -0.7694 -0.4907 0.7694 0.7694 -0.1816 -0.1816 1.386 0.8983 0.8983 1.386 0.0705 -0.7186 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 67.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 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 0000037180603000000000000000000000000000000120000000000000000000000000000000001A00000000000800A080020008000004000800009008000000000000000000010000000000100000000200000400000000000200000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 tetrahydrofuran-2-one IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-oxolanone IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 oxolan-2-one IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 oxolan-2-one IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 tetrahydrofuran-2-one InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 YEJRWHAVMIAJKC-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -0.6 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 86.036779 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C4H6O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 86.08924 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1CC(=O)OC1 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1CC(=O)OC1 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 26.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 86.036779 6 0 0 0 0 0 0 0 1 2