1.0 2016-01-06 21:24:35 UTC 2018-01-25 19:56:17 UTC FDB031319 2-Methyl-pyrogallol-1-O-sulphate 2-methyl-pyrogallol-1-o-sulphate, also known as 2-methoxyresorcinol monosulfate or 2-methylpyrogallol monosulfuric acid, is a member of the class of compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. 2-methyl-pyrogallol-1-o-sulphate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). C7H8O6S 220.2 220.004159152 (3-hydroxy-2-methoxyphenyl)oxidanesulfonic acid (3-hydroxy-2-methoxyphenyl)oxidanesulfonic acid COC1=C(OS(O)(=O)=O)C=CC=C1O InChI=1S/C7H8O6S/c1-12-7-5(8)3-2-4-6(7)13-14(9,10)11/h2-4,8H,1H3,(H,9,10,11) ARLAWMCEVZUXEY-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. Phenylsulfates Organic compounds Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Anisoles Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic oxides Phenoxy compounds Sulfuric acid monoesters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzenoid Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Phenylsulfate Sulfate-ester Sulfuric acid ester Sulfuric acid monoester logp -0.67 ALOGPS logs -1.66 ALOGPS solubility 4.83e+00 g/l ALOGPS logp 0.73 ChemAxon pka_strongest_acidic -2.4 ChemAxon pka_strongest_basic -5 ChemAxon iupac (3-hydroxy-2-methoxyphenyl)oxidanesulfonic acid ChemAxon average_mass 220.2 ChemAxon mono_mass 220.004159152 ChemAxon smiles COC1=C(OS(O)(=O)=O)C=CC=C1O ChemAxon formula C7H8O6S ChemAxon inchi InChI=1S/C7H8O6S/c1-12-7-5(8)3-2-4-6(7)13-14(9,10)11/h2-4,8H,1H3,(H,9,10,11) ChemAxon inchikey ARLAWMCEVZUXEY-UHFFFAOYSA-N ChemAxon polar_surface_area 93.06 ChemAxon refractivity 46.47 ChemAxon polarizability 18.66 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 172991 Specdb::MsMs 1286437 Specdb::MsMs 1286438 Specdb::MsMs 1286439 Specdb::MsMs 1401235 Specdb::MsMs 1401236 Specdb::MsMs 1401237 Specdb::MsMs 3048260 Specdb::MsMs 3048261 Specdb::MsMs 3048262 Specdb::MsMs 3096040 Specdb::MsMs 3096041 Specdb::MsMs 3096042 Specdb::NmrOneD 76332 Specdb::NmrOneD 76333 Specdb::NmrOneD 76334 Specdb::NmrOneD 76335 Specdb::NmrOneD 76336 Specdb::NmrOneD 76337 Specdb::NmrOneD 76338 Specdb::NmrOneD 76339 Specdb::NmrOneD 76340 Specdb::NmrOneD 76341 Specdb::NmrOneD 76342 Specdb::NmrOneD 76343 Specdb::NmrOneD 76344 Specdb::NmrOneD 76345 Specdb::NmrOneD 76346 Specdb::NmrOneD 76347 Specdb::NmrOneD 76348 Specdb::NmrOneD 76349 Specdb::NmrOneD 76350 Specdb::NmrOneD 76351