58369230 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 8 8 8 8 6 6 6 6 6 6 3 1 1 1 1 1 1 1 1 1 1 4 -1 10 -1 11 1 1 1 2 2 3 4 4 5 5 6 6 6 7 7 8 8 8 9 9 9 10 5 6 5 7 10 11 21 8 9 7 10 12 13 14 15 16 17 18 19 20 11 1 1 1 1 2 7 1 1 1 1 1 1 1 1 1 1 1 1 1 1 7 6 1 7 10 12 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 21 5.915 6.415 3.947 2.4608 6.724 5.106 5.415 7.3118 7.6751 4.155 3.4118 5.009 5.4798 4.8086 6.8102 7.6762 7.8134 7.8667 8.2648 7.4835 2 -0.4197 1.1191 -1.1191 0.2192 0.1681 0.1681 1.1191 -0.641 0.4771 -0.141 0.5282 -0.4443 1.7357 1.248 -1.0054 -1.1426 -0.2765 -0.1126 0.6687 1.0667 0.634 6 6 10 -1 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 126 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C8603800000000000000000000000000000120000000000000000000000000000000001A00000800000814A080020208000004000800001000020000000000000000014000001100040000042200000020000600000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 lithium;[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;hydroxide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 lithium;[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;hydroxide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 lithium;[(4<I>S</I>)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;hydroxide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 lithium;[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;hydroxide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 lithium;[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;hydroxide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 lithium;[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone;hydroxide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H9O3.Li.H2O/c1-6(2)8-4-5(3-7)9-6;;/h5H,4H2,1-2H3;;1H2/q-1;+1;/p-1/t5-;;/m1../s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GXBSQUFCUPMSLP-ZJIMSODOSA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 153.07391223 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H10LiO4- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 153.1 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 [Li+].CC1(OCC(O1)[C-]=O)C.[OH-] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [Li+].CC1(OC[C@H](O1)[C-]=O)C.[OH-] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 36.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 153.07391223 11 1 1 0 0 0 0 0 3 -1