23700091 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 19 8 8 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 -1 1 2 3 4 4 4 5 5 6 6 7 7 7 8 8 9 9 10 10 11 11 12 13 13 14 2 15 15 5 6 9 7 8 10 11 15 16 17 12 18 13 19 12 20 14 21 22 14 23 24 7 1 2 1 1 2 1 2 1 2 1 1 1 1 1 1 1 2 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 23 24 2 2.866 2 4.5981 3.732 4.5981 3.732 2.866 5.492 3.732 5.492 2.866 6.3981 6.3981 2.866 3.9441 4.3426 2.3291 5.4848 3.732 5.4848 2.3291 6.9338 6.9338 -2.5173 -2.0173 -0.5173 0.9827 0.4827 1.9827 -0.5173 0.9827 0.448 2.4827 2.5173 1.9827 0.9619 2.0035 -1.0173 -1.0999 -0.4097 0.6727 -0.172 3.1027 3.1373 2.2927 0.6498 2.3156 8 8 8 8 8 8 8 8 8 8 8 4 4 4 5 6 6 8 9 10 11 13 5 6 9 8 10 11 12 13 12 14 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 218 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0703000004000000000000000000000000000000000306000000000000000C15000001A00000000000C008098003008C0000000880220D2080002000020000008880100008808203280151080200024C00108880788C8F08E80000200001000000000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2-(1-naphthyl)acetate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2-(1-naphthalenyl)acetate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2-naphthalen-1-ylacetate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2-naphthalen-1-ylacetate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2-naphthalen-1-ylethanoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 potassium;2-(1-naphthyl)acetate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C12H10O2.K/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);/q;+1/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HPQBUYIHTJNBOM-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 224.02396101 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C12H9KO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 224.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[K+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[K+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 40.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 224.02396101 15 0 0 0 0 0 0 0 2 -1