5688257 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 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 5 5 5 6 7 8 8 9 9 10 10 11 11 13 13 13 15 15 15 7 13 6 14 12 25 14 6 7 8 9 10 11 16 12 17 14 18 12 19 15 20 21 22 23 24 1 1 1 1 1 1 2 2 1 1 1 2 2 1 2 1 1 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 6.0682 6.0682 2.5381 7.8003 5.2022 5.2022 6.0682 4.3083 4.3083 6.9343 3.4022 3.4022 6.9343 6.9343 6.9343 4.3154 4.3154 7.4712 2.8665 7.1463 7.5449 7.5543 6.9343 6.3143 2 0.7673 -2.2327 -2.2568 -2.2327 -0.7327 -1.7327 -0.2327 -0.198 -2.2673 -0.7327 -0.7119 -1.7535 1.2673 -1.7327 2.2673 0.422 -2.8873 -0.4227 -0.3998 0.6847 1.375 2.2673 2.8873 2.2673 -1.9489 8 8 8 8 8 8 8 8 8 8 8 2 2 5 5 5 6 7 8 9 10 11 6 14 6 7 8 9 10 11 12 14 12 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 284 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 00000371C0703800000000000000000000000000000000000000304000000000000000810000001A00000800000C04A09802320E80000600880220D208000208002020000888000608C80C272286311A827A20A5C01508B90780E02C0E20000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-ethoxy-7-hydroxy-chromen-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-ethoxy-7-hydroxy-1-benzopyran-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-ethoxy-7-hydroxychromen-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-ethoxy-7-hydroxychromen-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-ethoxy-7-oxidanyl-chromen-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-ethoxy-7-hydroxy-coumarin InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C11H10O4/c1-2-14-9-6-11(13)15-10-5-7(12)3-4-8(9)10/h3-6,12H,2H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AOSUUEBGVYZPMS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.05790880 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C11H10O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.19 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC(=O)OC2=C1C=CC(=C2)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=CC(=O)OC2=C1C=CC(=C2)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 55.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 206.05790880 15 0 0 0 0 0 0 0 1 -1