1.0 2019-10-16 14:35:31 UTC 2025-11-19 03:06:45 UTC FDB093737 N-(2-Hydroxyphenyl)acetamide sulfate C8H9NO5S 231.22 231.020143568 N-[2-(sulfooxy)phenyl]ethanimidic acid N-[2-(sulfooxy)phenyl]ethanimidic acid CC(O)=NC1=CC=CC=C1OS(O)(=O)=O InChI=1S/C8H9NO5S/c1-6(10)9-7-4-2-3-5-8(7)14-15(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13) JCVGTUVGDOWZJE-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 Acetamides Acetanilides Carbonyl compounds Hydrocarbon derivatives N-acetylarylamines Organic oxides Organopnictogen compounds Phenoxy compounds Secondary carboxylic acid amides Sulfuric acid monoesters Acetamide Acetanilide Anilide Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Hydrocarbon derivative Monocyclic benzene moiety N-acetylarylamine N-arylamide Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenoxy compound Phenylsulfate Secondary carboxylic acid amide Sulfate-ester Sulfuric acid ester Sulfuric acid monoester logp -0.92 ALOGPS logs -2.49 ALOGPS solubility 7.54e-01 g/l ALOGPS logp 0.79 ChemAxon pka_strongest_acidic -2.5 ChemAxon pka_strongest_basic -0.36 ChemAxon iupac N-[2-(sulfooxy)phenyl]ethanimidic acid ChemAxon average_mass 231.22 ChemAxon mono_mass 231.020143568 ChemAxon smiles CC(O)=NC1=CC=CC=C1OS(O)(=O)=O ChemAxon formula C8H9NO5S ChemAxon inchi InChI=1S/C8H9NO5S/c1-6(10)9-7-4-2-3-5-8(7)14-15(11,12)13/h2-5H,1H3,(H,9,10)(H,11,12,13) ChemAxon inchikey JCVGTUVGDOWZJE-UHFFFAOYSA-N ChemAxon polar_surface_area 96.19 ChemAxon refractivity 53.65 ChemAxon polarizability 20.5 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 156143 Specdb::MsMs 1220314 Specdb::MsMs 1220315 Specdb::MsMs 1220316 Specdb::MsMs 1336006 Specdb::MsMs 1336007 Specdb::MsMs 1336008 Specdb::MsMs 2687819 Specdb::MsMs 2687820 Specdb::MsMs 2687821 Specdb::MsMs 2994167 Specdb::MsMs 2994168 Specdb::MsMs 2994169 Specdb::NmrOneD 73172 Specdb::NmrOneD 73173 Specdb::NmrOneD 73174 Specdb::NmrOneD 73175 Specdb::NmrOneD 73176 Specdb::NmrOneD 73177 Specdb::NmrOneD 73178 Specdb::NmrOneD 73179 Specdb::NmrOneD 73180 Specdb::NmrOneD 73181 Specdb::NmrOneD 73182 Specdb::NmrOneD 73183 Specdb::NmrOneD 73184 Specdb::NmrOneD 73185 Specdb::NmrOneD 73186 Specdb::NmrOneD 73187 Specdb::NmrOneD 73188 Specdb::NmrOneD 73189 Specdb::NmrOneD 73190 Specdb::NmrOneD 73191 FOBI:030621