54687266 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 8 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 6 6 6 7 8 9 9 10 11 12 13 13 15 15 15 16 16 16 7 14 8 15 10 16 11 23 14 7 8 11 9 12 10 17 12 13 18 14 19 20 21 22 24 25 26 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 1 1 2 1 1 1 1 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 20 21 22 23 24 25 26 5.492 3.732 2 5.4804 7.2622 4.5981 4.5981 3.732 3.732 2.866 5.492 2.866 6.3981 6.3981 2.866 2 3.732 2.3291 6.9338 3.176 2.3291 2.556 6.0138 1.38 2 2.62 -1.2847 1.75 -1.25 1.7846 -1.2741 0.25 -0.75 0.75 -1.25 -0.75 0.7847 0.25 0.2708 -0.7708 2.25 -2.25 -1.87 0.56 0.5829 2.7869 2.56 1.7131 2.1008 -2.25 -2.87 -2.25 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 6 7 8 9 10 11 13 7 14 7 8 11 9 12 10 12 13 14 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 312 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 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 00000371C0703800000000000000000000000000000000000000304000000000000000810000001A00000800000C04809802320E80000600880220D208000208002020000088000608C80C272284311A827A20A5C01508B90780E02C0E20000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-5,7-dimethoxy-chromen-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-5,7-dimethoxy-1-benzopyran-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-5,7-dimethoxychromen-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-5,7-dimethoxychromen-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5,7-dimethoxy-4-oxidanyl-chromen-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-5,7-dimethoxy-coumarin InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H10O5/c1-14-6-3-8(15-2)11-7(12)5-10(13)16-9(11)4-6/h3-5,12H,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BSUBLNPXIPCSFW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 222.05282342 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H10O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 222.19 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC2=C(C(=CC(=O)O2)O)C(=C1)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC2=C(C(=CC(=O)O2)O)C(=C1)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 65 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 222.05282342 16 0 0 0 0 0 0 0 1 -1