72668795 1 2 3 4 5 6 7 8 9 10 28 8 8 8 6 6 1 1 1 1 2 2 3 3 4 5 5 5 5 9 6 10 6 6 7 8 1 1 1 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 1.586 3.135 0.5369 1.403 2.269 1.403 2.6675 1.8705 3.672 0 0 3.5 4 2.5 4 3.5 4.475 4.475 3.81 3.69 0 Compound Canonicalized 5 2012.11.26 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 0000037180403000000000080000000000000000000000000000000000000000000000000000001A00000800000000A080020008000002000800009008020000000000000000004000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxyacetic acid;nickel IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxyacetic acid;nickel IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxyacetic acid;nickel IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxyacetic acid;nickel IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 nickel;2-oxidanylethanoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 glycolic acid;nickel InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C2H4O3.Ni/c3-1-2(4)5;/h3H,1H2,(H,4,5); InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GMIHMFNPYUKMNE-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 133.951386 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C2H4NiO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 134.74 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(=O)O)O.[Ni] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(=O)O)O.[Ni] 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 2021.05.07 133.951386 6 0 0 0 0 0 0 0 2 -1