5373773 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 36 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 1 1 2 2 3 3 4 5 5 5 6 6 7 7 7 8 8 8 9 9 10 10 11 11 12 12 13 14 15 15 15 16 16 18 18 18 5 8 6 17 11 18 17 6 19 20 21 22 9 10 12 15 23 24 13 25 14 26 13 14 16 27 28 29 30 31 32 17 33 34 35 36 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 12 7 27 16 33 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 29 30 31 32 33 34 35 36 5.4641 4.5981 2.866 2.866 5.4641 4.5981 2.866 6.3301 2 3.732 2.866 2.866 2 3.732 6.3301 3.732 3.732 2 5.6762 6.0747 4.386 3.9875 6.5422 6.9407 1.4631 4.269 2.3291 1.4631 4.269 6.9501 6.3301 5.7101 4.269 1.69 1.4631 2.31 3.75 1.25 -4.75 1.25 2.75 2.25 -1.75 4.25 -2.25 -2.25 -3.75 -0.75 -3.25 -3.25 5.25 -0.25 0.75 -5.25 2.1674 2.8577 2.8326 2.1423 3.6674 4.3577 -1.94 -1.94 -0.44 -3.56 -3.56 5.25 5.87 5.25 -0.56 -4.7131 -5.56 -5.7869 8 8 8 8 8 8 7 7 9 10 11 11 9 10 13 14 13 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 255 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0703800000000000000000000000000000000000000300000000000000000010000001A00000000000C04A09802320E80000400880220D208000208002020000888000608C80D262284311A82302024C0110AA98780C0000E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-3-(4-methoxyphenyl)-2-propenoic acid 2-ethoxyethyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-ethoxyethyl (<I>E</I>)-3-(4-methoxyphenyl)prop-2-enoate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (E)-3-(4-methoxyphenyl)acrylic acid 2-ethoxyethyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H18O4/c1-3-17-10-11-18-14(15)9-6-12-4-7-13(16-2)8-5-12/h4-9H,3,10-11H2,1-2H3/b9-6+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CMDKPGRTAQVGFQ-RMKNXTFCSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 250.12050905 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H18O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 250.29 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOCCOC(=O)C=CC1=CC=C(C=C1)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOCCOC(=O)/C=C/C1=CC=C(C=C1)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 44.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 250.12050905 18 0 0 0 1 1 0 0 1 -1