14101 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 8 8 8 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 3 3 4 4 4 5 6 7 7 8 8 9 9 10 10 11 5 12 6 12 18 5 6 7 8 9 10 13 11 14 12 15 11 16 17 1 1 2 1 1 1 1 2 2 1 1 1 1 1 2 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 4.666 4.666 6.3981 3.8 3.8 4.666 2.9061 2.9061 5.5321 2 2 5.5321 2.9132 2.9132 6.069 1.4643 1.4643 6.935 -1.4827 1.5173 -1.4827 0.0173 -0.9827 0.5173 0.552 -1.5173 0.0173 0.0381 -1.0035 -0.9827 1.172 -2.1373 0.3273 0.3502 -1.3156 -1.1727 8 8 8 8 8 8 8 8 8 8 8 1 1 4 4 4 5 6 7 8 9 10 5 12 5 6 7 8 9 10 11 12 11 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 232 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180703000000000000000000000000000000000000000304000000000000000810000001A00000800000C04809800300E800006008802A05200000208002420000888010608C81C263684351A80316024E0110CA98788C8A08E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxychromen-4-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxy-1-benzopyran-4-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxychromen-4-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxychromen-4-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-oxidanylchromen-4-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-hydroxychromone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,11H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OWBBAPRUYLEWRR-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 162.031694049 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C9H6O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 162.14 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C(=O)C=C(O2)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C(=O)C=C(O2)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 46.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 162.031694049 12 0 0 0 0 0 0 0 1 -1