54690201 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 9 9 10 10 11 12 12 14 14 14 6 13 7 14 8 22 13 6 7 8 9 10 12 11 15 11 16 17 13 18 19 20 21 1 1 1 1 1 1 2 2 1 1 1 2 2 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 4.666 2.9176 4.666 6.3981 3.8 3.8 2.9061 4.666 2.9061 2 2 5.5321 5.5321 2.0574 2.9132 1.4643 1.4643 6.069 2.3736 1.5241 1.7413 5.203 -1.755 1.2796 1.245 -1.755 -0.255 -1.255 0.2797 0.245 -1.7896 -0.2341 -1.2758 -0.255 -1.255 1.7896 -2.4096 0.0779 -1.5878 0.055 2.3229 2.1058 1.2563 1.555 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 10 12 11 11 13 0 Compound Canonicalized 5 2011.12.21 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 00000371C0703800000000000000000000000000000000000000304000000000000000810000001A00000800000C04809802320E80000600880220D208000208002020000888000608C80C272284311A827A20A5C01508B90780E02C0E00000008000800000000001000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-5-methoxy-chromen-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-5-methoxy-1-benzopyran-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-5-methoxychromen-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-5-methoxychromen-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5-methoxy-4-oxidanyl-chromen-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-5-methoxy-coumarin InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H8O4/c1-13-7-3-2-4-8-10(7)6(11)5-9(12)14-8/h2-5,11H,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LFFCJEOKCYTBDD-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=CC2=C1C(=CC(=O)O2)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC=CC2=C1C(=CC(=O)O2)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