51 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 8 8 8 8 8 6 6 6 6 6 1 1 1 1 1 1 1 1 2 3 4 4 5 6 6 6 6 7 7 7 8 9 15 8 9 10 16 10 7 8 11 12 9 13 14 10 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 2.5369 6.001 3.403 7.7331 6.8671 5.135 4.269 6.001 3.403 6.8671 5.5335 4.7365 3.8705 4.6675 2 8.27 -0.25 -1.25 1.25 -0.25 1.25 0.25 -0.25 -0.25 0.25 0.25 0.7249 0.7249 -0.7249 -0.7249 0.06 0.06 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 171 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 5 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037180603800000000000000000000000000000000000000000000000000000000000000001A000008000008048080000008000002000800809008020000000000000000014000000000120000000040000400000000008B26000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-oxopentanedioic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-oxopentanedioic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-oxopentanedioic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-oxidanylidenepentanedioic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2-ketoglutaric acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 KPGXRSRHYNQIFN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -0.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 146.021523 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C5H6O5 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 146.09814 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(CC(=O)O)C(=O)C(=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(CC(=O)O)C(=O)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 91.7 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 146.021523 10 0 0 0 0 0 0 0 1 2