8724 1 2 3 4 5 6 7 8 9 10 11 11 8 8 6 6 6 1 1 1 1 1 1 1 2 -1 2 3 4 4 4 4 5 5 5 6 6 5 6 7 8 9 10 11 1 2 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 5.4641 4.5981 3.732 2.866 2 3.732 3.2646 2.4675 1.69 1.4631 2.31 0.25 0.75 -0.75 0.75 0.25 0.25 1.225 1.225 0.7869 -0.06 -0.2869 0 Compound Canonicalized 5 2007.06.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 34.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180403020000000000000000000000000000000000000000000000000000000000000001A000000000008008080000208000000000800009008000000000000000000010000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;propanoate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;propanoate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;propanoate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;propanoate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;propanoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;propionate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JXKPEJDQGNYQSM-UHFFFAOYSA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 96.01872368 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C3H5NaO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 96.06 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(=O)[O-].[Na+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(=O)[O-].[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 40.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 96.01872368 6 0 0 0 0 0 0 0 2 -1