516892 1 2 3 4 5 6 11 8 8 8 6 1 1 1 2 -1 1 2 3 3 4 2 5 5 6 5 7 1 1 1 2 1 5 255 1 2 3 4 5 6 5.135 4.269 2.5369 3.403 3.403 2 0.25 0.75 0.75 -0.75 0.25 0.44 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 33.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 1 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371000030200000000000000000000000000000000000000000000000000000000000000002000008000000000000000008000002000800000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 sodium;hydrogen carbonate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 sodium;hydrogen carbonate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 sodium;hydrogen carbonate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 sodium;hydrogen carbonate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 sodium;bicarbonate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 UIIMBOGNXHQVGW-UHFFFAOYSA-M Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 83.982338 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 CHNaO3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 84.006609 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C(=O)(O)[O-].[Na+] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C(=O)(O)[O-].[Na+] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 60.4 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 83.982338 5 0 0 0 0 0 0 0 2 1