1060 1 2 3 4 5 6 7 8 9 10 8 8 8 6 6 6 1 1 1 1 1 1 2 3 4 4 5 5 5 6 10 4 6 5 6 7 8 9 1 1 2 2 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 2.5369 4.269 3.403 4.269 5.135 3.403 4.825 5.672 5.445 2 0.25 1.25 -1.25 0.25 -0.25 -0.25 -0.7869 -0.56 0.2869 -0.06 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 84 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 0000037180403000000000000000000000000000000000000000000000000000000000000000001A000008000008048080000208000002000800809008020000000000000000014000000000000000000040000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2-oxopropanoic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2-oxopropanoic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2-oxopropanoic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2-oxidanylidenepropanoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 pyruvic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 LCTONWCANYUPML-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 88.016044 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C3H4O3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 88.06206 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC(=O)C(=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC(=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 88.016044 6 0 0 0 0 0 0 0 1 2