70390909 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 29 30 31 8 8 8 8 8 6 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 1 1 2 2 3 4 4 5 6 6 6 7 7 8 8 9 9 10 11 12 13 13 13 14 14 16 16 16 17 17 17 7 13 15 16 12 14 31 15 8 9 12 10 11 10 18 11 19 20 21 14 15 22 23 24 25 17 26 27 28 29 30 1 1 1 1 2 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 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 26 27 28 29 30 31 4.5981 2.866 3.732 5.4641 4.5981 4.5981 4.5981 5.4641 3.732 5.4641 3.732 4.5981 3.732 5.4641 3.732 2.866 2 6.001 3.1951 6.001 3.1951 3.52 3.1215 5.6762 6.0747 3.0781 3.4766 1.69 1.4631 2.31 6.001 -1.155 -3.155 3.345 4.345 -3.155 1.845 -0.155 1.345 1.345 0.345 0.345 2.845 -1.655 3.345 -2.655 -4.155 -4.655 1.655 1.655 0.035 0.035 -1.0724 -1.7627 2.7624 3.4527 -4.7376 -4.0473 -4.1181 -4.965 -5.1919 4.655 8 8 8 8 8 8 6 6 7 7 8 9 8 9 10 11 10 11 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 256 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703800000000000000000000000000000000000000300000000000000000010000001A00000800000C04A09802320E800006008802A0D208020208002420000888014608C80D363284351E827920A4C0110AA98788CCA0CE20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl 2-[4-(2-hydroxyacetyl)phenoxy]acetate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[4-(2-hydroxy-1-oxoethyl)phenoxy]acetic acid ethyl ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl 2-[4-(2-hydroxyacetyl)phenoxy]acetate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl 2-[4-(2-hydroxyacetyl)phenoxy]acetate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl 2-[4-(2-oxidanylethanoyl)phenoxy]ethanoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-glycoloylphenoxy)acetic acid ethyl ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C12H14O5/c1-2-16-12(15)8-17-10-5-3-9(4-6-10)11(14)7-13/h3-6,13H,2,7-8H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QKEIUWJMVOYAEC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.08412354 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C12H14O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 238.24 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC(=O)COC1=CC=C(C=C1)C(=O)CO SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC(=O)COC1=CC=C(C=C1)C(=O)CO 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 2021.05.07 238.08412354 17 0 0 0 0 0 0 0 1 -1