12586 1 2 3 4 5 6 7 8 9 10 11 8 8 6 6 6 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 5 3 5 4 5 4 6 7 8 9 10 11 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 2.809 2.309 3.618 3.309 2 3.928 4.1844 3.9155 3.2442 1.4336 1.69 -0.7694 0.7694 -0.1816 0.7694 -0.1816 -0.7186 0.0705 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 24.1 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 0000037180403000000000000000000000000000000120000000000000000000000000000000001A00000000000000A080030008000004000000000000000000000000000000000000001100000000002000000000000600000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1,3-dioxolane IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1,3-dioxolane IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 1,3-dioxolane IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1,3-dioxolane IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 1,3-dioxolane InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 WNXJIVFYUVYPPR-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -0.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 74.036779 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C3H6O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 74.07854 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1COCO1 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1COCO1 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 18.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 74.036779 5 0 0 0 0 0 0 0 1 1