22197 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 26 8 8 8 8 8 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 4 -1 5 -1 2 2 3 3 4 5 6 7 8 8 8 9 9 9 10 10 10 11 11 11 8 22 9 23 12 13 12 13 10 12 14 11 13 15 16 17 18 19 20 21 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 8 2 10 12 14 3 1 9 3 11 13 15 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 6.001 2.5369 9.4651 5.135 6.8671 4.269 7.7331 3.403 8.5991 3.403 8.5991 4.269 7.7331 3.403 8.5991 4.023 3.403 2.783 9.2191 8.5991 7.9791 2 10.0021 -0.25 -0.25 -0.25 0.25 0.25 -1.25 -1.25 0.25 0.25 1.25 1.25 -0.25 -0.25 -0.37 -0.37 1.25 1.87 1.25 1.25 1.87 1.25 0.06 0.06 3 3 8 9 2 3 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 53.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0603800000000200000000000000000000000000000000000000000000000000000001A00000800000814A080020208000002000800009008020000000000000000014000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ferrous;2-hydroxypropanoate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-hydroxypropanoate;iron(2+) IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-hydroxypropanoate;iron(2+) IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-hydroxypropanoate;iron(2+) IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 iron(2+);2-oxidanylpropanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 ferrous;lactate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2C3H6O3.Fe/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DKKCQDROTDCQOR-UHFFFAOYSA-L Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 233.982674 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H10FeO6 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 233.98 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Fe+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Fe+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 121 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 233.982674 13 2 0 2 0 0 0 0 3 -1