58593361 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 26 27 28 29 30 19 8 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 5 -1 6 -1 21 -1 1 1 2 2 3 4 4 5 6 7 7 7 8 9 9 10 10 11 12 13 14 14 15 15 16 16 17 18 19 19 20 20 6 21 8 9 11 17 29 13 30 8 11 13 14 10 12 15 16 12 22 18 17 23 19 24 20 25 18 26 21 27 21 28 7 7 1 1 2 1 1 1 1 1 1 2 2 1 2 2 1 1 1 1 1 1 1 1 2 1 2 1 2 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 26 27 28 29 30 10.3984 6.0682 6.0682 2.5381 4.3198 11.2644 5.2022 5.2022 6.9343 7.8003 6.0682 6.9343 4.3083 4.3083 8.6663 7.8003 3.4022 3.4022 9.5323 8.6663 9.5323 7.4712 4.3154 8.6663 7.2634 2.8665 10.0693 8.6663 2 11.8013 -2.2673 -0.7673 2.2327 -0.7914 2.2673 -1.7673 0.7327 -0.2673 -0.2673 -0.7673 1.2327 0.7327 1.2674 -0.802 -0.2673 -1.7673 -0.2881 0.7535 -0.7673 -2.2673 -1.7673 1.0427 -1.4219 0.3527 -2.0773 1.0656 -0.4573 -2.8873 -0.4835 -2.0773 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 7 7 7 8 9 10 10 11 13 14 15 16 17 19 20 8 9 8 11 13 14 12 15 16 12 18 17 19 20 18 21 21 -2 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 504 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 00000371C0703800004000000000000000000000000000000000304080000000000000810000001A00000800000C048098003006800006008802A05200000208002420000888010608C80C273686351A827960A5E01508B90788ECACCE20000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 potassium;7-hydroxy-4-oxo-2-phenyl-chromen-5-olate;hydroxide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 potassium;7-hydroxy-4-oxo-2-phenyl-1-benzopyran-5-olate;hydroxide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 potassium;7-hydroxy-4-oxo-2-phenylchromen-5-olate;hydroxide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 potassium;7-hydroxy-4-oxo-2-phenylchromen-5-olate;hydroxide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 potassium;7-oxidanyl-4-oxidanylidene-2-phenyl-chromen-5-olate;hydroxide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 potassium;7-hydroxy-4-keto-2-phenyl-chromen-5-olate;hydroxide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H9O4.K.H2O/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9;;/h2-8,16-17H;;1H2/q-1;+1;/p-2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UEBZMGKFOYDPMC-UHFFFAOYSA-L Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.00870487 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H9KO5-2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.33 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=CC=[C-]1)C2=CC(=O)C3=C(C=C(C=C3O2)O)[O-].[OH-].[K+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=CC=[C-]1)C2=CC(=O)C3=C(C=C(C=C3O2)O)[O-].[OH-].[K+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 70.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 308.00870487 21 0 0 0 0 0 0 0 3 -1