1.0 2020-03-10 17:03:36 UTC 2020-04-22 18:56:58 UTC BMDB0096246 BMDB96246 4-Vinylphenol sulfate 4-Vinylphenol sulfuric acid 4-Vinylphenol sulphate 4-Vinylphenol sulphuric acid C8H8O4S 200.21 200.014329912 (4-ethenylphenyl)oxidanesulfonic acid (4-ethenylphenyl)oxidanesulfonic acid OS(=O)(=O)OC1=CC=C(C=C)C=C1 InChI=1S/C8H8O4S/c1-2-7-3-5-8(6-4-7)12-13(9,10)11/h2-6H,1H2,(H,9,10,11) IETVQHUKTKKBFF-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. Organic compounds Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Phenylsulfates Hydrocarbon derivatives Organic oxides Organooxygen compounds Phenoxy compounds Styrenes Sulfuric acid monoesters Aromatic homomonocyclic compound Benzenoid Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenoxy compound Phenylsulfate Styrene Sulfate-ester Sulfuric acid ester Sulfuric acid monoester Aromatic homomonocyclic compounds aryl sulfate styrenes logp -0.37 ALOGPS logs -2.36 ALOGPS logp 1.93 ChemAxon pka_strongest_acidic -2 ChemAxon iupac (4-ethenylphenyl)oxidanesulfonic acid ChemAxon average_mass 200.21 ChemAxon mono_mass 200.014329912 ChemAxon smiles OS(=O)(=O)OC1=CC=C(C=C)C=C1 ChemAxon formula C8H8O4S ChemAxon inchi InChI=1S/C8H8O4S/c1-2-7-3-5-8(6-4-7)12-13(9,10)11/h2-6H,1H2,(H,9,10,11) ChemAxon inchikey IETVQHUKTKKBFF-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 47.72 ChemAxon polarizability 18.38 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 36810 Specdb::CMs 148522 Specdb::MsIr 10589 Specdb::MsIr 10590 Specdb::MsIr 10591 Specdb::MsMs 917062 Specdb::MsMs 917063 Specdb::MsMs 917064 Specdb::MsMs 965878 Specdb::MsMs 965879 Specdb::MsMs 965880 Specdb::MsMs 2680434 Specdb::MsMs 2680435 Specdb::MsMs 2680436 Specdb::MsMs 3025443 Specdb::MsMs 3025444 Specdb::MsMs 3025445 Specdb::NmrOneD 69572 Specdb::NmrOneD 69573 Specdb::NmrOneD 69574 Specdb::NmrOneD 69575 Specdb::NmrOneD 69576 Specdb::NmrOneD 69577 Specdb::NmrOneD 69578 Specdb::NmrOneD 69579 Specdb::NmrOneD 69580 Specdb::NmrOneD 69581 Specdb::NmrOneD 69582 Specdb::NmrOneD 69583 Specdb::NmrOneD 69584 Specdb::NmrOneD 69585 Specdb::NmrOneD 69586 Specdb::NmrOneD 69587 Specdb::NmrOneD 69588 Specdb::NmrOneD 69589 Specdb::NmrOneD 69590 Specdb::NmrOneD 69591 FDB034852 6426766 82931