70476657 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 30 8 8 8 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 5 5 6 6 7 7 8 8 9 10 11 11 12 12 13 13 13 6 13 14 24 14 7 8 11 9 10 9 15 10 16 17 18 12 19 14 20 21 22 23 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 1 1 1 11 5 19 12 20 14 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 5.135 1.403 3.135 1.403 1.403 1.403 0.5369 2.269 0.5369 2.269 1.403 2.269 0.5369 2.269 0 2.8059 0 2.8059 0.866 2.8059 0.2269 0 0.8469 3.135 3.5785 1.0369 7.0369 7.0369 4.0369 2.0369 3.5369 3.5369 2.5369 2.5369 5.0369 5.5369 0.5369 6.5369 3.8469 3.8469 2.2269 2.2269 5.3469 5.2269 1.0739 0.2269 0 7.6569 8 8 8 8 8 8 5 5 6 6 7 8 7 8 9 10 9 10 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 190 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0703000000000020000000000000000000000000000300000000000000000010000001A00000800000C04809802320E80000600880220D208000208002020000888000608C80C262284311A80302024C01108B98780C0000E20000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-3-(4-methoxyphenyl)prop-2-enoic acid;zinc IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-3-(4-methoxyphenyl)-2-propenoic acid;zinc IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (<I>E</I>)-3-(4-methoxyphenyl)prop-2-enoic acid;zinc IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-3-(4-methoxyphenyl)prop-2-enoic acid;zinc IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-3-(4-methoxyphenyl)prop-2-enoic acid;zinc IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (E)-3-(4-methoxyphenyl)acrylic acid;zinc InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H10O3.Zn/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;/h2-7H,1H3,(H,11,12);/b7-4+; InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 MAMSTZKUJXZPGG-KQGICBIGSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 241.992136 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H10O3Zn Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 243.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)C=CC(=O)O.[Zn] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC=C(C=C1)/C=C/C(=O)O.[Zn] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 46.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 241.992136 14 0 0 0 1 1 0 0 2 -1