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 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 55.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037100403000000000000000000000000000000000000000000000000000000000000000001A00000800000000A080020008000002000800089088020000000000000000004000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 oxaldehydic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 oxaldehydic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 oxaldehydic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 oxaldehydic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 oxaldehydic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 glyoxylic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HHLFWLYXYJOTON-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 74.000393922 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 74.04 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=O)C(=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=O)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 54.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 74.000393922 5 0 0 0 0 0 0 0 1 -1