68428869 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 11 8 8 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 5 5 6 6 6 8 9 10 10 11 11 12 12 12 13 13 14 7 23 8 24 5 7 10 8 11 7 9 12 9 15 13 16 14 17 18 19 20 14 21 22 1 1 1 1 1 1 2 1 2 2 1 1 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 24 2.4817 2.269 2.269 3.135 3.135 1.403 2.269 2.269 1.403 4.029 4.029 0.5369 4.935 4.935 0.866 4.0218 4.0218 0.2269 0 0.8469 5.4708 5.4708 1.732 1.732 0 2.8472 6.8472 4.3472 5.3472 4.3472 3.8472 5.8472 5.3472 3.8125 5.8818 3.8472 4.3264 5.368 5.6572 3.1926 6.5018 4.3841 3.5372 3.3102 4.0143 5.68 2.5372 7.1572 8 8 8 8 8 8 8 8 8 8 8 4 4 4 5 5 6 6 8 10 11 13 5 7 10 8 11 7 9 9 13 14 14 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 181 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 2 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 00000371C0703020000000000000000000000000000000000000306000000000000000C15000001A00000800000C048098003206C000020080022042000002000020200008880006088808262282111280700024C011089807C0C0F00EC1000300001800008200060000300000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H10O2.Na/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13;/h2-6,12-13H,1H3; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QGDGAYPZDQWLPY-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 197.05784884 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H10NaO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 197.18 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C2=CC=CC=C2C(=C1)O)O.[Na] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C2=CC=CC=C2C(=C1)O)O.[Na] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 40.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 197.05784884 14 0 0 0 0 0 0 0 2 -1