1.0 2019-08-07 19:37:57 UTC 2025-11-19 03:04:17 UTC FDB034582 7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate C20H16O4S 352.404 352.07692969 [(12-methyltetraphen-7-yl)methoxy]sulfonic acid (12-methyltetraphen-7-yl)methoxysulfonic acid CC1=C2C3=CC=CC=C3C=CC2=C(COS(O)(=O)=O)C2=CC=CC=C12 InChI=1S/C20H16O4S/c1-13-15-7-4-5-9-17(15)19(12-24-25(21,22)23)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11H,12H2,1H3,(H,21,22,23) WYUDBEMLROEPHR-UHFFFAOYSA-N belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene. Phenanthrenes and derivatives Organic compounds Benzenoids Phenanthrenes and derivatives Aromatic homopolycyclic compounds Alkyl sulfates Anthracenes Hydrocarbon derivatives Organic oxides Organooxygen compounds Sulfuric acid monoesters Alkyl sulfate Anthracene Aromatic homopolycyclic compound Hydrocarbon derivative Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organooxygen compound Phenanthrene Sulfate-ester Sulfuric acid ester Sulfuric acid monoester phenanthrenes logp 1.75 ALOGPS logs -6.21 ALOGPS solubility 2.19e-04 g/l ALOGPS logp 4.74 ChemAxon pka_strongest_acidic -1.1 ChemAxon iupac [(12-methyltetraphen-7-yl)methoxy]sulfonic acid ChemAxon average_mass 352.404 ChemAxon mono_mass 352.07692969 ChemAxon smiles CC1=C2C3=CC=CC=C3C=CC2=C(COS(O)(=O)=O)C2=CC=CC=C12 ChemAxon formula C20H16O4S ChemAxon inchi InChI=1S/C20H16O4S/c1-13-15-7-4-5-9-17(15)19(12-24-25(21,22)23)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11H,12H2,1H3,(H,21,22,23) ChemAxon inchikey WYUDBEMLROEPHR-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 97.26 ChemAxon polarizability 37.09 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 33273 Specdb::CMs 134613 Specdb::CMs 142347 Specdb::MsMs 882160 Specdb::MsMs 882161 Specdb::MsMs 882162 Specdb::MsMs 922363 Specdb::MsMs 922364 Specdb::MsMs 922365 Specdb::MsMs 3225376 Specdb::MsMs 3225377 Specdb::MsMs 3225378 Specdb::MsMs 3225379 Specdb::MsMs 3225380 Specdb::MsMs 3225381 HMDB0060420 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823