7924 1 2 3 4 5 6 7 8 9 10 11 12 13 8 8 8 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 6 6 6 4 7 5 7 7 5 6 8 9 10 11 12 13 1 1 1 1 2 1 1 1 1 1 1 1 1 4 1 5 6 8 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 3.7601 3.2601 2 4.5691 4.2601 5.5202 2.9511 4.7021 4.8665 4.1953 5.3286 6.1098 5.7117 -0.7694 0.7694 -0.4907 -0.1816 0.7694 -0.4907 -0.1816 -1.0212 0.8983 1.386 -1.0803 -0.6822 0.099 3 4 8 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 88.9 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 0000037180603000000000000000000000000000000120000000000000000000000000000000001A00000000000814A080020208000004000800000008000000000000000000000000001100000000002000000000000600000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 4-methyl-1,3-dioxolan-2-one IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 4-methyl-1,3-dioxolan-2-one IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 4-methyl-1,3-dioxolan-2-one IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 4-methyl-1,3-dioxolan-2-one IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 4-methyl-1,3-dioxolan-2-one InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 RUOJZAUFBMNUDX-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 2011.09.13 102.031694 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C4H6O3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 102.08864 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC1COC(=O)O1 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC1COC(=O)O1 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 35.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 102.031694 7 1 0 1 0 0 0 0 1 1