54706655 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 8 8 8 8 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 2 -1 1 1 2 3 3 4 5 5 5 6 6 7 7 8 8 10 12 12 12 6 12 9 11 19 11 7 8 11 9 10 9 13 10 14 15 16 17 18 1 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 3.732 2 4.5981 2.866 3.732 3.732 2.866 4.5981 2.866 4.5981 3.732 4.5981 2.3291 5.135 5.135 4.2881 5.135 4.9081 4.5981 -2.31 -1.31 2.19 2.19 0.69 -1.31 0.19 0.19 -0.81 -0.81 1.69 -2.81 0.5 0.5 -1.12 -3.3469 -3.12 -2.2731 2.81 8 8 8 8 8 8 5 5 6 6 7 8 7 8 9 10 9 10 -1 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 168 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180703800000000000000000000000000000000000000300000000000000000010000001A00000800000C04809802320E80000600880220D208000208002420000888010688C80D263284351A80712224C0110AB987CAEC3CCE20000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 5-carboxy-2-methoxy-phenolate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 5-carboxy-2-methoxyphenolate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 5-carboxy-2-methoxyphenolate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 5-carboxy-2-methoxyphenolate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5-carboxy-2-methoxy-phenolate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 5-carboxy-2-methoxy-phenolate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)/p-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LBKFGYZQBSGRHY-UHFFFAOYSA-M Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 167.03443370 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C8H7O4- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 167.14 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C(C=C1)C(=O)O)[O-] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C(C=C1)C(=O)O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 69.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 167.03443370 12 0 0 0 0 0 0 0 1 -1