13080944 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 8 8 8 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 6 7 7 8 8 9 10 10 11 11 12 12 13 6 21 14 22 14 5 6 10 7 11 9 8 15 9 14 16 12 17 13 18 13 19 20 1 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 5.135 2.5369 3.403 6.001 6.001 5.135 5.135 4.269 4.269 6.895 6.895 7.801 7.801 3.403 5.135 3.732 6.8878 6.8878 8.3368 8.3368 4.5981 2 -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 0.965 8 8 8 8 8 8 8 8 8 8 8 4 4 4 5 5 6 7 8 10 11 12 5 6 10 7 11 9 8 9 12 13 13 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 227 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0703000000000000000000000000000000000000000306000000000000000C15000001A00000800000C04809800300EC0000200880220D208000200002420000888010608C808263282151280710024C011089987CAC8F08EC0000300001800008000060000300000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxynaphthalene-2-carboxylic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-2-naphthalenecarboxylic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxynaphthalene-2-carboxylic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxynaphthalene-2-carboxylic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-oxidanylnaphthalene-2-carboxylic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-hydroxy-2-naphthoic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H8O3/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-6,12H,(H,13,14) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NIOAVQYSSKOCQP-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 188.047344113 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H8O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 188.18 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C=C(C=C2O)C(=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C=C(C=C2O)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 57.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 188.047344113 14 0 0 0 0 0 0 0 1 2