69990814 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 8 8 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 6 7 7 8 8 9 9 10 10 11 12 12 13 6 22 14 23 14 5 6 8 7 9 10 11 15 12 16 13 17 11 18 19 13 20 21 1 1 1 1 3 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 23 1.403 2.8999 1.1679 2.269 2.269 1.403 1.403 3.1629 3.1629 0.5369 0.5369 4.069 4.069 2.0339 1.403 3.1558 3.1558 0 0 4.6047 4.6047 0.866 3.4369 0.31 6.9944 5.9944 1.81 2.81 1.31 3.31 1.2753 3.3447 1.81 2.81 1.7892 2.8308 6.4944 3.93 0.6554 3.9646 1.5 3.12 1.4771 3.1429 0 6.6844 8 8 8 8 8 8 8 8 8 8 8 4 4 4 5 5 6 7 8 9 10 12 5 6 8 7 9 10 11 12 13 11 13 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 164 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0723000000000000000000000000000000000000000306000000000000000C15000001E00000800000C048098003006C000020090022042000002000020200008880006088808262282111280700024C01108980780C0B00E80000100001800000000020000300000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 cyanic acid;naphthalen-1-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 cyanic acid;1-naphthalenol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 cyanic acid;naphthalen-1-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 cyanic acid;naphthalen-1-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 cyanic acid;naphthalen-1-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 cyanic acid;1-naphthol InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H8O.CHNO/c11-10-7-3-5-8-4-1-2-6-9(8)10;2-1-3/h1-7,11H;3H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WHLHOWZDJCWNOT-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 187.063328530 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C11H9NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 187.19 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=CC=C2O.C(#N)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=CC=C2O.C(#N)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 64.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 187.063328530 14 0 0 0 0 0 0 0 2 -1