1.0 2026-09-21 14:04:38 UTC 2026-09-21 14:04:38 UTC FDB116556 5-Carboxyfluorescein 3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid C21H12O7 376.3158 376.058302738 3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid 5-carboxyfluorescein OC(=O)C1=CC2=C(C=C1)C1(OC2=O)C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2 InChI=1S/C21H12O7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21/h1-9,22-23H,(H,24,25) NJYVEMPWNAYQQN-UHFFFAOYSA-N belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring. Xanthenes Organic compounds Organoheterocyclic compounds Benzopyrans 1-benzopyrans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids Benzofuranones Carboxylic acid esters Carboxylic acids Diarylethers Dicarboxylic acids and derivatives Hydrocarbon derivatives Isobenzofurans Lactones M-phthalic acid and derivatives Organic oxides Oxacyclic compounds Phthalides 1-hydroxy-2-unsubstituted benzenoid Aromatic heteropolycyclic compound Benzenoid Benzofuranone Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Diaryl ether Dicarboxylic acid or derivatives Ether Hydrocarbon derivative Isobenzofuran Isobenzofuranone Isocoumaran Lactone Meta_phthalic_acid Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Phthalide Xanthene monocarboxylic acid logp 3.23 ALOGPS logs -4.47 ALOGPS solubility 1.27e-02 g/l ALOGPS logp 3.54 ChemAxon pka_strongest_acidic 3.83 ChemAxon pka_strongest_basic -6 ChemAxon iupac 3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid ChemAxon average_mass 376.3158 ChemAxon mono_mass 376.058302738 ChemAxon smiles OC(=O)C1=CC2=C(C=C1)C1(OC2=O)C2=C(OC3=C1C=CC(O)=C3)C=C(O)C=C2 ChemAxon formula C21H12O7 ChemAxon inchi InChI=1S/C21H12O7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)21(15)14-4-1-10(19(24)25)7-13(14)20(26)28-21/h1-9,22-23H,(H,24,25) ChemAxon inchikey NJYVEMPWNAYQQN-UHFFFAOYSA-N ChemAxon polar_surface_area 113.29 ChemAxon refractivity 98.48 ChemAxon polarizability 36.47 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 107191 Specdb::CMs 119520 Specdb::CMs 825022 Specdb::CMs 825023 Specdb::CMs 825024 Specdb::CMs 825025 Specdb::CMs 825026 Specdb::CMs 825027 Specdb::CMs 825028 Specdb::CMs 825029 Specdb::CMs 825030 Specdb::CMs 825031 Specdb::MsMs 3407605 Specdb::MsMs 3407606 Specdb::MsMs 3407607 Specdb::MsMs 3407608 Specdb::MsMs 3407609 Specdb::MsMs 3407610