15857753 1 2 3 4 5 6 7 8 9 8 8 6 6 6 1 1 1 1 1 1 2 3 3 3 5 5 5 3 4 4 4 5 6 7 8 9 1 1 2 1 1 1 1 1 1 3 1 4 5 6 3 1 1 5 255 1 2 3 4 5 6 7 8 9 3.366 4.732 2.866 3.866 2 2.4276 2.31 1.4631 1.69 -0.683 0.683 0.183 0.183 0.683 -0.2554 1.22 0.993 0.1461 3 3 5 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 67.3 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 0000037180403000000000000000000000001200000000000000000000000000000000000000001A00000000000814A080020208000004000800009008020000000000000000014000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-methyloxiran-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-methyl-2-oxiranone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-methyloxiran-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-methyloxiran-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-methyloxiran-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-methyloxiran-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C3H4O2/c1-2-3(4)5-2/h2H,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YCHXNMPJFFEIJG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 72.021129366 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C3H4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 72.06 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1C(=O)O1 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1C(=O)O1 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 29.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 72.021129366 5 1 0 1 0 0 0 0 1 -1