5280567 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 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 4 4 4 5 5 6 7 7 8 8 9 9 10 10 10 11 11 6 13 12 21 13 5 6 7 9 10 8 11 14 12 15 13 16 17 18 19 12 20 1 1 1 1 2 1 2 1 2 1 1 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 3.732 7.2622 2 4.5981 3.732 4.5981 5.492 5.492 2.866 3.732 6.3981 6.3981 2.866 5.4848 5.4848 2.3291 3.112 3.732 4.352 6.9338 7.8003 1.4827 1.5068 1.4827 -0.0173 -0.5173 0.9827 -0.552 1.5173 -0.0173 -1.5173 -0.0381 1.0035 0.9827 -1.172 2.1373 -0.3273 -1.5173 -2.1373 -1.5173 -0.3502 1.1989 8 8 8 8 8 8 8 8 8 8 8 1 1 4 4 4 5 6 7 8 9 11 6 13 5 6 7 9 8 11 12 13 12 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 257 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0703000000000000000000000000000000000000000304000000000000000810000001A00000800000C04809800320E80000600880220D208000208002020000888000608C80C272286311A827A20A5C01508B90780E0AC0E20000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 7-hydroxy-4-methyl-chromen-2-one IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 7-hydroxy-4-methylchromen-2-one IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 4-methyl-7-oxidanyl-chromen-2-one IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 hymecromone InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 HSHNITRMYYLLCV-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 176.047344 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C10H8O3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 176.16872 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC1=CC(=O)OC2=C1C=CC(=C2)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC1=CC(=O)OC2=C1C=CC(=C2)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 46.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 176.047344 13 0 0 0 0 0 0 0 1 9