72201034 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 11 8 8 8 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 3 -1 1 2 2 3 4 5 5 5 6 6 7 8 8 9 9 10 11 11 12 12 13 13 14 3 7 22 15 15 6 7 11 8 12 10 9 16 10 15 17 13 18 14 19 14 20 21 7 1 1 1 2 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 2 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 2 5.4641 2.866 3.732 6.3301 6.3301 5.4641 5.4641 4.5981 4.5981 7.2241 7.2241 8.1301 8.1301 3.732 5.4641 4.0611 7.2169 7.2169 8.6659 8.6659 4.9272 1.155 -1.845 0.655 2.155 -0.345 0.655 -0.845 1.155 0.655 -0.345 -0.8797 1.1897 -0.3658 0.6758 1.155 1.775 -0.655 -1.4996 1.8096 -0.6779 0.9879 -2.155 8 8 8 8 8 8 8 8 8 8 8 5 5 5 6 6 7 8 9 11 12 13 6 7 11 8 12 10 9 10 13 14 14 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 232 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180703020000000000000000000000000000000000000306000000000000000C15000001A00000800000C04809800300EC0000200880220D208000200002420000888010608C808263282151280710024C011089987CAC8F08EC0000300001800008000060000300000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;4-hydroxynaphthalene-2-carboxylate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;4-hydroxy-2-naphthalenecarboxylate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;4-hydroxynaphthalene-2-carboxylate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;4-hydroxynaphthalene-2-carboxylate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;4-oxidanylnaphthalene-2-carboxylate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 sodium;4-hydroxy-2-naphthoate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H8O3.Na/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10;/h1-6,12H,(H,13,14);/q;+1/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HWKMGADUBUDYSW-UHFFFAOYSA-M Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 210.02928836 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H7NaO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 210.16 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C=C(C=C2O)C(=O)[O-].[Na+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C=C(C=C2O)C(=O)[O-].[Na+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 60.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 210.02928836 15 0 0 0 0 0 0 0 2 -1