70257954 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 32 33 34 35 8 8 8 8 8 6 6 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 1 1 2 3 3 4 4 5 6 6 6 7 8 8 8 9 10 10 11 12 12 12 13 14 14 15 15 15 17 18 18 18 19 19 19 7 14 13 16 18 17 19 16 7 10 12 9 9 11 13 20 11 21 22 23 24 25 15 16 17 26 27 28 29 30 31 32 33 34 35 1 1 2 1 1 1 1 2 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 14 1 16 17 4 29 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 32 33 34 35 3.732 6.3301 5.4641 5.4641 3.732 2.866 3.732 4.5981 4.5981 2.866 3.732 2 5.4641 4.5981 5.4641 4.5981 5.4641 5.4641 6.3301 5.135 2.3291 3.732 2.31 1.4631 1.69 4.8441 5.4641 6.0841 6.001 6.0841 5.4641 4.8441 6.0201 6.8671 6.6401 0.5 -2 2.5 -0.5 2.5 -1 -0.5 -2 -1 -2 -2.5 -0.5 -2.5 1 -3.5 2 0.5 3.5 -1 -0.69 -2.31 -3.12 0.0369 -0.19 -1.0369 -3.5 -4.12 -3.5 0.81 3.5 4.12 3.5 -1.5369 -1.31 -0.4631 8 8 8 8 8 8 6 6 7 8 8 10 7 10 9 9 11 11 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 361 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0703800000000000000000000000000000000000000300000000000000000010000001A00000000000C04A09802320E800004008802A0D208020208002420000888014608C80D263284351E823920A4C0110AA9878AC8F08E40000100000800008000020000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl (Z)-2-(5-acetyl-2-methyl-phenoxy)-3-methoxy-prop-2-enoate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-2-(5-acetyl-2-methylphenoxy)-3-methoxy-2-propenoic acid methyl ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl (<I>Z</I>)-2-(5-acetyl-2-methylphenoxy)-3-methoxyprop-2-enoate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl (Z)-2-(5-acetyl-2-methylphenoxy)-3-methoxyprop-2-enoate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl (Z)-2-(5-ethanoyl-2-methyl-phenoxy)-3-methoxy-prop-2-enoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (Z)-2-(5-acetyl-2-methyl-phenoxy)-3-methoxy-acrylic acid methyl ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H16O5/c1-9-5-6-11(10(2)15)7-12(9)19-13(8-17-3)14(16)18-4/h5-8H,1-4H3/b13-8- InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PZBKADKVHYMEFC-JYRVWZFOSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 264.09977361 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H16O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 264.27 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=C(C=C1)C(=O)C)OC(=COC)C(=O)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C(C=C(C=C1)C(=O)C)O/C(=C\OC)/C(=O)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 61.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 264.09977361 19 0 0 0 1 1 0 0 1 -1