1.0 2016-05-19 03:07:56 UTC 2026-08-26 17:57:52 UTC Benzenesulfonic acid, 4-[(2-methyl-2-propenyl)oxy]-, sodium salt SmallMolecule Benzenesulfonic acid, 4-[(2-methyl-2-propenyl)oxy]-, sodium salt belongs to the benzenesulfonic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C10H11NaO4S and an average molecular weight of 250.24 g/mol. C10H11NaO4S 250.24 250.02757429 sodium 4-[(2-methylprop-2-en-1-yl)oxy]benzene-1-sulfonate sodium 4-[(2-methylprop-2-en-1-yl)oxy]benzenesulfonate 1208-67-9 [Na+].CC(=C)COC1=CC=C(C=C1)S([O-])(=O)=O InChI=1S/C10H12O4S.Na/c1-8(2)7-14-9-3-5-10(6-4-9)15(11,12)13;/h3-6H,1,7H2,2H3,(H,11,12,13);/q;+1/p-1 QAGISKMUKULVAU-UHFFFAOYSA-M Organic compounds Benzenoids Benzene and substituted derivatives Benzenesulfonic acids and derivatives Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Alkyl aryl ethers Benzenesulfonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organosulfonic acids Phenol ethers Phenoxy compounds Sulfonyls 1-sulfo,2-unsubstituted aromatic compound Alkyl aryl ether Aromatic homomonocyclic compound Arylsulfonic acid or derivatives Benzenesulfonate Benzenesulfonyl group Ether Hydrocarbon derivative Organic alkali metal salt Organic oxide Organic oxygen compound Organic salt Organic sodium salt Organic sulfonic acid or derivatives Organooxygen compound Organosulfonic acid Organosulfonic acid or derivatives Organosulfur compound Phenol ether Phenoxy compound Sulfonyl Aromatic homomonocyclic compounds Detected and Not Quantified logp 1.9 logp 1.67 ALOGPS logs -2.56 ALOGPS solubility 6.89e-01 g/l ALOGPS logp 1.97 ChemAxon pka_strongest_acidic -2.1 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac sodium 4-[(2-methylprop-2-en-1-yl)oxy]benzene-1-sulfonate ChemAxon average_mass 250.24 ChemAxon mono_mass 250.02757429 ChemAxon smiles [Na+].CC(=C)COC1=CC=C(C=C1)S([O-])(=O)=O ChemAxon formula C10H11NaO4S ChemAxon inchi InChI=1S/C10H12O4S.Na/c1-8(2)7-14-9-3-5-10(6-4-9)15(11,12)13;/h3-6H,1,7H2,2H3,(H,11,12,13);/q;+1/p-1 ChemAxon inchikey QAGISKMUKULVAU-UHFFFAOYSA-M ChemAxon polar_surface_area 66.43 ChemAxon refractivity 55.47 ChemAxon polarizability 22.33 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227a755a8> 71021 64180