760 1 2 3 4 5 6 7 8 8 8 6 6 1 1 1 1 2 3 4 5 4 7 4 5 5 6 1 1 2 2 1 1 1 5 255 1 2 3 4 5 6 7 2.5369 3.403 5.135 3.403 4.269 4.269 2 0.44 -1.06 -0.06 -0.06 0.44 1.06 0.13 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 55.9 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 1 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 0000037100403000000000000000000000000000000000000000000000000000000000000000001A00000800000000A080020008000002000800089088020000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 oxaldehydic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 oxaldehydic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 oxaldehydic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 oxaldehydic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 glyoxylic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 HHLFWLYXYJOTON-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -0.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 74.000394 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C2H2O3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 74.03548 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(=O)C(=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(=O)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 54.4 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 74.000394 5 0 0 0 0 0 0 0 1 1