7860 1 2 3 4 5 6 8 8 6 6 1 1 1 2 3 3 4 3 4 4 5 6 2 2 1 1 1 1 5 255 1 2 3 4 5 6 2 4.5981 2.866 3.732 2.866 3.732 0.25 -0.25 -0.25 0.25 -0.87 0.87 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 25 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037100403000000000000000000000000000000000000000000000000000000000000000001A00000000000000A080020000000000000800081080000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 oxaldehyde IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 oxaldehyde IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 oxaldehyde IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 ethanedial IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 glyoxal InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C2H2O2/c3-1-2-4/h1-2H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 LEQAOMBKQFMDFZ-UHFFFAOYSA-N Log P XLogP3-AA 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 58.005479 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C2H2O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 58.03608 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(=O)C=O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(=O)C=O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 34.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 58.005479 4 0 0 0 0 0 0 0 1 1