971 1 2 3 4 5 6 7 8 8 8 8 8 6 6 1 1 1 1 2 2 3 4 5 5 7 6 8 5 6 6 1 1 1 1 2 2 1 1 5 255 1 2 3 4 5 6 7 8 2.5369 5.135 3.403 4.269 3.403 4.269 2 5.672 0.25 -0.25 -1.25 1.25 -0.25 0.25 -0.06 0.06 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 71.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 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 0000037100403800000000000000000000000000000000000000000000000000000000000000000A000008000000000080000008000002000800009008020000000000000000004000000100000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 oxalic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 oxalic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 oxalic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 ethanedioic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 oxalic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 MUBZPKHOEPUJKR-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 89.995309 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C2H2O4 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 90.03488 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(=O)(C(=O)O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(=O)(C(=O)O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 74.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 89.995309 6 0 0 0 0 0 0 0 1 1