69247241 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 6 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 2 3 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 12 12 13 13 14 14 14 15 16 17 17 17 18 18 9 11 16 19 11 19 7 8 10 11 14 16 12 20 13 21 17 22 23 18 24 15 25 15 26 27 28 29 30 31 32 33 34 19 35 1 1 1 1 2 2 2 1 1 1 1 2 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 6 11 14 16 2 31 3 1 10 5 24 18 35 19 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 29 30 31 32 33 34 35 6.3301 4.5981 4.5981 2.866 2.866 5.4641 2 3.732 6.3301 2.866 5.4641 2 3.732 6.3301 2.866 4.5981 7.1962 3.732 3.732 1.4631 4.269 6.1181 5.7196 2.3291 1.4631 4.269 6.0201 6.8671 6.6401 2.866 4.0611 7.5062 7.7331 6.8862 4.269 3.25 0.25 3.25 0.25 -2.75 1.75 -3.25 -3.25 4.25 -1.75 2.75 -4.25 -4.25 1.25 -4.75 1.25 4.75 -1.25 -0.25 -2.94 -2.94 4.8326 4.1423 -1.44 -4.56 -4.56 0.7131 0.94 1.7869 -5.37 1.56 4.2131 5.06 5.2869 -1.56 8 8 1 8 8 8 8 5 5 6 7 8 12 13 7 8 16 12 13 15 15 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 362 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 0 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 00000371E0703800000000000000000000000000000000000000300000000000000000010000001A00000000000C00A09802320880000400880220D208000208002020000888010000C808242280311082300020800008A9870080000E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl 2-methyl-3-[(E)-3-phenylprop-2-enoyl]oxy-prop-2-enoate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methyl-3-[(E)-1-oxo-3-phenylprop-2-enoxy]-2-propenoic acid ethyl ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl 2-methyl-3-[(<I>E</I>)-3-phenylprop-2-enoyl]oxyprop-2-enoate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl 2-methyl-3-[(E)-3-phenylprop-2-enoyl]oxyprop-2-enoate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl 2-methyl-3-[(E)-3-phenylprop-2-enoyl]oxy-prop-2-enoate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methyl-3-[(E)-3-phenylacryloyl]oxy-acrylic acid ethyl ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H16O4/c1-3-18-15(17)12(2)11-19-14(16)10-9-13-7-5-4-6-8-13/h4-11H,3H2,1-2H3/b10-9+,12-11? InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VEIYLBVZXOXAPQ-LYIXSAAJSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 260.10485899 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H16O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 260.28 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC(=O)C(=COC(=O)C=CC1=CC=CC=C1)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC(=O)C(=COC(=O)/C=C/C1=CC=CC=C1)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 52.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 260.10485899 19 0 0 0 2 1 1 0 1 -1