5702835 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 8 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 7 8 8 9 9 10 11 12 12 14 14 14 6 13 7 14 10 22 13 6 7 8 9 12 11 15 10 16 11 18 13 17 19 20 21 1 1 1 1 1 1 2 2 1 1 1 2 2 1 2 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 6.0682 6.0682 2.5381 7.8003 5.2022 5.2022 6.0682 4.3083 4.3083 3.4022 3.4022 6.9343 6.9343 6.9343 4.3154 4.3154 7.4712 2.8665 7.2443 7.4712 6.6243 2 -1.7327 1.2673 -1.7568 -1.7327 -0.2327 -1.2327 0.2673 0.302 -1.7673 -1.2535 -0.2119 -0.2327 -1.2327 1.7673 0.922 -2.3873 0.0773 0.1002 1.2304 2.0773 2.3043 -1.4489 8 8 8 8 8 8 8 8 8 8 8 1 1 5 5 5 6 7 8 9 10 12 6 13 6 7 8 9 12 11 10 11 13 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 271 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703800000000000000000000000000000000000000304000000000000000810000001A00000800000C04809802320E80000600880220D208000208002020000888000608C80C272286311A827A20A5C01508B90780E02C0E20000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-hydroxy-4-methoxy-chromen-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-hydroxy-4-methoxy-1-benzopyran-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-hydroxy-4-methoxychromen-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7-hydroxy-4-methoxychromen-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-methoxy-7-oxidanyl-chromen-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-hydroxy-4-methoxy-coumarin InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H8O4/c1-13-8-5-10(12)14-9-4-6(11)2-3-7(8)9/h2-5,11H,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RZNHAJPLNGBHCA-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 2021.05.07 192.04225873 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H8O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 192.17 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC(=O)OC2=C1C=CC(=C2)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=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 2021.05.07 192.04225873 14 0 0 0 0 0 0 0 1 -1