73734359 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 22 8 8 8 8 8 8 8 6 6 6 6 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 6 7 9 9 9 10 10 10 8 9 17 10 18 11 19 12 20 11 12 11 13 14 12 15 16 2 1 1 1 1 1 1 1 1 2 2 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 17 18 19 20 0 6.135 6.135 3.5369 3.5369 4.403 4.403 1 5.269 5.269 4.403 4.403 5.6675 4.8705 5.6675 4.8705 6.672 6.672 3 3 2.725 1 4.975 1.5 5.475 0 3.975 2.725 1.5 5.475 1 4.975 1.975 1.975 5.9499 5.9499 1.31 5.285 1.19 5.165 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 42.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0603800000002000000000000000000000000000000000000000000000000000000001A00000800000000A080020008000002000800009008020000000000000000004000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxyacetic acid;oxotitanium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxyacetic acid;oxotitanium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxyacetic acid;oxotitanium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxyacetic acid;oxotitanium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-oxidanylethanoic acid;oxidanylidenetitanium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 glycolic acid;ketotitanium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/2C2H4O3.O.Ti/c2*3-1-2(4)5;;/h2*3H,1H2,(H,4,5);; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DQVYBWXEEYWWEX-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 215.9749433 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C4H8O7Ti Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 215.97 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(=O)O)O.C(C(=O)O)O.O=[Ti] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(=O)O)O.C(C(=O)O)O.O=[Ti] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 132 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 215.9749433 12 0 0 0 0 0 0 0 3 -1