70248581 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 8 8 8 8 8 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 5 6 6 6 7 7 8 9 10 10 11 12 13 13 13 14 14 14 7 13 9 24 12 15 25 15 8 10 12 8 9 16 11 11 17 18 14 15 19 20 21 22 23 1 1 1 1 2 1 1 2 2 1 1 1 2 1 1 2 1 1 1 1 1 1 1 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 25 4.269 2.5369 6.8671 6.001 4.269 5.135 4.269 5.135 3.403 4.269 3.403 6.001 5.135 6.001 5.135 5.672 4.269 2.866 5.3471 5.7456 5.381 6.001 6.621 2 6.001 0.69 -0.31 -1.81 2.69 2.69 -1.81 -0.31 -0.81 -0.81 -2.31 -1.81 -2.31 1.19 -3.31 2.19 -0.5 -2.93 -2.12 0.6074 1.2977 -3.31 -3.93 -3.31 -0.62 3.31 8 8 8 8 8 8 6 6 7 7 9 10 8 10 8 9 11 11 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 250 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703800000000000000000000000000000000000000300000000000000000010000001A00000800000C04A09802320E800006008802A0D208020208002420000888014688C80D263286351E827923A4C0110BB9878ACCB0CE20000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(5-acetyl-2-hydroxy-phenoxy)acetic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(5-acetyl-2-hydroxyphenoxy)acetic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(5-acetyl-2-hydroxyphenoxy)acetic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(5-acetyl-2-hydroxyphenoxy)acetic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(5-ethanoyl-2-oxidanyl-phenoxy)ethanoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(5-acetyl-2-hydroxy-phenoxy)acetic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H10O5/c1-6(11)7-2-3-8(12)9(4-7)15-5-10(13)14/h2-4,12H,5H2,1H3,(H,13,14) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FKFFNHVTQXFOJS-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 210.05282342 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H10O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 210.18 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)C1=CC(=C(C=C1)O)OCC(=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)C1=CC(=C(C=C1)O)OCC(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 83.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 210.05282342 15 0 0 0 0 0 0 0 1 -1