16684438 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 13 11 8 8 8 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -1 2 1 1 1 1 1 3 4 5 5 6 6 7 7 7 8 8 8 9 9 10 10 11 11 11 12 12 12 3 4 21 22 7 8 9 11 10 12 9 13 14 10 15 16 17 18 19 20 23 24 25 26 27 28 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 21 22 23 24 25 26 27 28 4.8671 4.6171 5.7331 4.001 8.3312 1.403 6.5991 3.135 7.4651 2.269 9.1972 0.5369 6.2006 6.9976 3.5335 2.7365 7.8637 7.0666 1.8705 2.6675 4.5571 5.1771 9.5072 9.7341 8.8872 0.2269 0 0.8469 1.0369 4.0739 1.5369 0.5369 1.0369 1.0369 1.0369 1.0369 1.5369 0.5369 1.5369 0.5369 0.562 0.562 1.5119 1.5119 2.0119 2.0119 0.062 0.062 1.5739 0.5 1 1.8469 2.0739 1.0739 0.2269 0 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 63.6 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0603820000010000000000000000000000000000000000000000000000000000000001A00000082000000A080020200000004000000000000000000000000000000000000000100000000000000000000000200000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;bis(2-methoxyethoxy)alumanuide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;bis(2-methoxyethoxy)alumanuide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;bis(2-methoxyethoxy)alumanuide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;bis(2-methoxyethoxy)alumanuide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;bis(2-methoxyethoxy)alumanuide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;bis(2-methoxyethoxy)alumanuide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/2C3H7O2.Al.Na.2H/c2*1-5-3-2-4;;;;/h2*2-3H2,1H3;;;;/q2*-1;2*+1;; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XJIQVZMZXHEYOY-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 202.0761667 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H16AlNaO4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 202.16 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COCCO[AlH2-]OCCOC.[Na+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COCCO[AlH2-]OCCOC.[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 36.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 202.0761667 12 0 0 0 0 0 0 0 2 -1