29900143 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 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 4 5 5 5 6 6 7 7 7 8 9 9 9 10 10 11 11 12 13 15 15 15 5 6 14 27 13 14 9 14 16 8 10 8 11 13 17 18 19 20 12 21 12 22 23 15 24 25 26 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 1 5 1 14 9 16 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 4.5981 6.3301 2 4.5981 5.4641 4.5981 3.732 3.732 6.3301 5.4641 4.5981 5.4641 2.866 5.4641 2.866 4.9272 3.1951 6.0201 6.8671 6.6401 6.001 4.5981 6.001 2.246 2.866 3.486 6.3301 0.69 2.69 -1.81 2.69 1.19 -0.31 -1.81 -0.81 0.69 -0.81 -2.31 -1.81 -2.31 2.19 -3.31 1.5 -0.5 0.1531 0.38 1.2269 -0.5 -2.93 -2.12 -3.31 -3.93 -3.31 3.31 5 8 8 8 8 8 8 5 6 6 7 7 10 11 1 8 10 8 11 12 12 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 249 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703800000000000000000000000000000000000000300000000000000000010000001A00000800000C14A09802320E800006008802A0D208020208002420000888014608C80D263284351E827920A4C0110BA9878AC8B08E00000100000000000000020000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-(3-acetylphenoxy)propanoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-(3-acetylphenoxy)propanoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (2<I>R</I>)-2-(3-acetylphenoxy)propanoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-(3-acetylphenoxy)propanoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-(3-ethanoylphenoxy)propanoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2R)-2-(3-acetylphenoxy)propionic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H12O4/c1-7(12)9-4-3-5-10(6-9)15-8(2)11(13)14/h3-6,8H,1-2H3,(H,13,14)/t8-/m1/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZKXNUJJKVJQNHB-MRVPVSSYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 208.07355886 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H12O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 208.21 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C(=O)O)OC1=CC=CC(=C1)C(=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C[C@H](C(=O)O)OC1=CC=CC(=C1)C(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 63.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 208.07355886 15 1 1 0 0 0 0 0 1 -1