70289502 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 37 38 39 40 41 42 43 44 45 46 8 8 8 8 8 8 6 6 6 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 1 1 1 1 1 1 2 2 3 3 4 4 5 6 7 7 7 7 8 8 8 9 9 10 10 11 11 12 12 13 14 14 16 16 17 18 19 20 20 21 21 21 22 22 22 23 23 23 24 24 10 19 13 21 17 22 15 35 15 19 8 9 25 26 10 27 28 11 15 29 30 12 31 13 14 16 18 32 17 33 18 34 20 23 24 36 37 38 39 40 41 42 43 44 45 46 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 9 7 15 11 12 31 3 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 37 38 39 40 41 42 43 44 45 46 8.9282 2.866 4.5981 6.3301 4.5981 9.7942 6.3301 7.1962 5.4641 8.0622 4.5981 4.5981 3.732 5.4641 5.4641 3.732 4.5981 5.4641 9.7942 10.6603 2 5.4641 11.5263 10.6603 5.9316 6.7287 7.5947 6.7976 7.6636 8.4607 4.0611 6.001 3.1951 6.001 6.3301 1.69 1.4631 2.31 5.1541 6.001 5.7741 11.2163 12.0632 11.8363 11.1972 10.1233 1.44 -0.06 -3.06 2.94 2.94 -0.06 0.94 1.44 1.44 0.94 0.94 -0.06 -0.56 -0.56 2.44 -1.56 -2.06 -1.56 0.94 1.44 -0.56 -3.56 0.94 2.44 0.4651 0.4651 1.915 1.915 0.4651 0.4651 1.25 -0.25 -1.87 -1.87 3.56 -0.0231 -0.87 -1.0969 -4.0969 -3.87 -3.0231 0.4031 0.63 1.4769 2.75 2.75 1 8 8 8 8 8 8 9 12 12 13 14 16 17 11 13 14 16 18 17 18 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 482 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 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 10 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0783800000000000000000000000000000000000000300000000000000000010000001A00000800000C04A09802320E80000600880220D208000208002020000888010608C80C273284311A82702025C01508B98788E42C0E20000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(2,4-dimethoxyphenyl)methylene]-5-(2-methylprop-2-enoyloxy)pentanoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(2,4-dimethoxyphenyl)methylidene]-5-(2-methyl-1-oxoprop-2-enoxy)pentanoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(2,4-dimethoxyphenyl)methylidene]-5-(2-methylprop-2-enoyloxy)pentanoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(2,4-dimethoxyphenyl)methylidene]-5-(2-methylprop-2-enoyloxy)pentanoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(2,4-dimethoxyphenyl)methylidene]-5-(2-methylprop-2-enoyloxy)pentanoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2,4-dimethoxyphenyl)-2-(3-methacryloyloxypropyl)acrylic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H22O6/c1-12(2)18(21)24-9-5-6-14(17(19)20)10-13-7-8-15(22-3)11-16(13)23-4/h7-8,10-11H,1,5-6,9H2,2-4H3,(H,19,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XCTYMLCCPBWYCD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.14163842 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H22O6 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=C)C(=O)OCCCC(=CC1=C(C=C(C=C1)OC)OC)C(=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=C)C(=O)OCCCC(=CC1=C(C=C(C=C1)OC)OC)C(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 82.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.14163842 24 0 0 0 1 0 1 0 1 -1