25200543 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 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 4 -1 1 1 2 3 3 4 5 5 5 6 7 7 8 8 9 10 11 12 12 13 14 15 15 16 16 17 17 18 18 19 6 7 9 13 28 11 6 9 11 12 8 10 15 16 10 20 14 13 21 14 22 17 23 18 24 19 25 19 26 27 1 1 2 1 1 1 1 1 2 2 1 2 2 1 1 1 1 1 1 2 1 1 1 2 1 2 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 23 24 25 26 27 28 6.0682 6.0682 2.5381 4.3198 5.2022 5.2022 6.9343 7.8003 6.0682 6.9343 4.3083 4.3083 3.4022 3.4022 7.8003 8.6663 8.6663 9.5323 9.5323 7.4712 4.3154 2.8665 7.2634 8.6663 8.6663 10.0693 10.0693 2 -0.7673 2.2327 -0.7914 2.2673 0.7327 -0.2673 -0.2673 -0.7673 1.2327 0.7327 1.2674 -0.802 -0.2881 0.7535 -1.7673 -0.2673 -2.2673 -0.7673 -1.7673 1.0427 -1.4219 1.0656 -2.0773 0.3527 -2.8873 -0.4573 -2.0773 -0.4835 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 5 5 5 6 7 8 8 9 11 12 13 15 16 17 18 6 7 6 9 11 12 10 15 16 10 14 13 14 17 18 19 19 -1 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 384 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0703800000000000000000000000000000000000000306080000000000000814000001A00000800000C048098003006800006008802A05200000208002420000888010608C80C273686351A827960A5E01508B90788ECACCE20000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7-hydroxy-4-oxo-2-phenyl-chromen-5-olate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7-hydroxy-4-oxo-2-phenyl-1-benzopyran-5-olate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7-hydroxy-4-oxo-2-phenylchromen-5-olate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7-hydroxy-4-oxo-2-phenylchromen-5-olate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7-oxidanyl-4-oxidanylidene-2-phenyl-chromen-5-olate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 7-hydroxy-4-keto-2-phenyl-chromen-5-olate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RTIXKCRFFJGDFG-UHFFFAOYSA-M Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 253.05008376 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H9O4- Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 253.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 69.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 253.05008376 19 0 0 0 0 0 0 0 1 -1