53638658 1 2 3 4 5 6 7 8 9 8 8 8 6 6 1 1 1 1 6 2 1 1 2 2 3 4 4 4 4 8 5 9 5 5 6 7 1 1 1 1 2 1 1 1 4 1 5 6 7 3 1 1 5 255 1 2 3 4 5 6 7 8 9 5.135 2.5369 3.403 4.269 3.403 4.8154 3.8705 5.672 2 0.25 0.75 -0.75 0.75 0.25 1.4011 1.225 0.56 0.44 3 4 6 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 40.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180403000000000000000000000000000000000000000000000000000000000000000001A00000800000000A080020008000002000800009008020000000000000000004000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-deuterio-2-hydroxy-acetic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-deuterio-2-hydroxyacetic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-deuterio-2-hydroxyacetic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-deuterio-2-hydroxyacetic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-deuterio-2-oxidanyl-ethanoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-deuterio-2-hydroxy-acetic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)/i1D InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AEMRFAOFKBGASW-MICDWDOJSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -1.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 77.022320731 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C2H4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 77.06 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(=O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [2H]C(C(=O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 57.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 77.022320731 5 1 0 1 0 0 0 1 1 -1