66653136 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 26 27 28 8 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 6 6 6 7 7 8 8 9 9 10 10 10 11 11 12 12 13 16 16 16 6 7 15 16 14 25 14 15 10 14 17 8 11 9 18 12 15 19 20 21 13 22 13 23 24 26 27 28 1 1 1 1 1 1 2 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 6 1 14 10 17 2 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 26 27 28 3.732 6.3301 2.866 2 4.5981 3.732 4.5981 4.5981 5.4641 4.5981 5.4641 6.3301 6.3301 2.866 5.4641 6.3301 4.269 4.0611 4.2881 5.135 4.9081 5.4641 6.8671 6.8671 2.3291 6.9501 6.3301 5.7101 -0.845 2.655 -3.345 -1.845 2.655 -1.845 -0.345 0.655 1.155 -2.345 -0.845 0.655 -0.345 -2.345 2.155 3.655 -1.535 0.965 -2.8819 -2.655 -1.8081 -1.465 0.965 -0.655 -3.655 3.655 4.275 3.655 6 8 8 8 8 8 8 6 7 7 8 9 11 12 1 8 11 9 12 13 13 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 263 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703800000000000000000000000000000000000000300000000000000000010000001A00000800000C14A09802320E80000600880220D208020208002420000888014608C80D263284351E827920A4C0110BA987CAC8308E00000100000000000000020000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-(3-methoxycarbonylphenoxy)propanoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-(3-methoxycarbonylphenoxy)propanoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (2<I>R</I>)-2-(3-methoxycarbonylphenoxy)propanoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-(3-methoxycarbonylphenoxy)propanoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-(3-methoxycarbonylphenoxy)propanoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-(3-carbomethoxyphenoxy)propionic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H12O5/c1-7(10(12)13)16-9-5-3-4-8(6-9)11(14)15-2/h3-7H,1-2H3,(H,12,13)/t7-/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WIOILLKHZDPTOT-SSDOTTSWSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 224.06847348 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H12O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 224.21 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C(=O)O)OC1=CC=CC(=C1)C(=O)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C[C@H](C(=O)O)OC1=CC=CC(=C1)C(=O)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 72.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 224.06847348 16 1 1 0 0 0 0 0 1 -1