1.0 2010-04-08 22:04:45 UTC 2025-11-18 22:25:53 UTC FDB000894 Acetylsalicylic acid Constituent of Glycyrrhiza glabra variety typica (licorice) roots. Acetylsalicylic acid is found in herbs and spices. 2-(ACETYLOXY)benzoate 2-(ACETYLOXY)benzoIC ACID 2-Acetoxybenzenecarboxylate 2-Acetoxybenzenecarboxylic acid 2-Acetoxybenzoate 2-Acetoxybenzoic acid 2-Acetyloxybenzoic acid, 9CI 2-Carboxyphenyl acetate Acenterine Acetard Aceticyl Acetonyl Acetophen Acetosal Acetosalin Acetylin Acetylsalicylate Acetylsalicylic acid Acetylsalicylsaeure Acetyonyl Acetysal Acetysalicylic acid Acide 2-(acetyloxy)benzoique Acide acetylsalicylique Acido acetilsalicilico Acidum acetylsalicylicum Acylpyrin Asatard Aspergum Aspirdrops Aspirin Aspirin, BAN, USAN Azetylsalizylsaeure Benaspir Bialpirinia Bufferin Cardioaspirina Easprin Ecolen Ecotrin Empirin Endosprin Endydol O-(Acetyloxy)benzoate O-(Acetyloxy)benzoic acid O-Acetoxybenzoate o-Acetoxybenzoic acid O-Acetylsalicylate o-Acetylsalicylic acid o-Carboxyphenyl acetate O-Carboxyphenyl acetic acid Persistin Pharmacin Polopiryna Premaspin Rheumintabletten Rhodine Salcetogen Saletin Salicylate acetate Salicylic acid acetate Salicylic acid acetate, 8CI Salicylic acid acetic acid Salospir Solprin Solprin acid Solpyron Tasprin Temperal Toldex Triaminicin C9H8O4 180.1574 180.042258744 2-(acetyloxy)benzoic acid aspirin 50-78-2 CC(=O)OC1=CC=CC=C1C(O)=O InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) BSYNRYMUTXBXSQ-UHFFFAOYSA-N belongs to the class of organic compounds known as acylsalicylic acids. These are o-acylated derivatives of salicylic acid. Acylsalicylic acids Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Benzoic acids Benzoyl derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Phenol esters Phenoxy compounds Acylsalicylic acid Aromatic homomonocyclic compound Benzoic acid Benzoyl Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Phenol ester Phenoxy compound acetate ester benzoic acids salicylates Solid logp 1.43 ALOGPS logs -2.09 ALOGPS solubility 1.46e+00 g/l ALOGPS melting_point Fp 118° logp 1.24 ChemAxon pka_strongest_acidic 3.41 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 2-(acetyloxy)benzoic acid ChemAxon average_mass 180.1574 ChemAxon mono_mass 180.042258744 ChemAxon smiles CC(=O)OC1=CC=CC=C1C(O)=O ChemAxon formula C9H8O4 ChemAxon inchi InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) ChemAxon inchikey BSYNRYMUTXBXSQ-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 44.45 ChemAxon polarizability 17.1 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Acetylsalicylic Acid Pathway SMP00083 Specdb::EiMs 628 Specdb::MsIr 1429 Specdb::MsIr 1430 Specdb::MsIr 1431 Specdb::NmrOneD 1776 Specdb::NmrOneD 2407 Specdb::NmrOneD 3097 Specdb::NmrTwoD 1716 Specdb::CMs 786 Specdb::CMs 1003 Specdb::CMs 7757 Specdb::CMs 27401 Specdb::CMs 27421 Specdb::CMs 30117 Specdb::CMs 30469 Specdb::CMs 31361 Specdb::CMs 32298 Specdb::CMs 38166 Specdb::CMs 161455 Specdb::MsMs 1777 Specdb::MsMs 1778 Specdb::MsMs 1779 Specdb::MsMs 5543 Specdb::MsMs 5544 Specdb::MsMs 255762 Specdb::MsMs 255763 Specdb::MsMs 255764 Specdb::MsMs 275703 Specdb::MsMs 275704 Specdb::MsMs 275705 Specdb::MsMs 436679 Specdb::MsMs 436680 Specdb::MsMs 436681 Specdb::MsMs 436682 Specdb::MsMs 436683 Specdb::MsMs 436684 Specdb::MsMs 436685 Specdb::MsMs 436686 Specdb::MsMs 436687 Specdb::MsMs 444374 Specdb::MsMs 444375 Specdb::MsMs 444376 Specdb::MsMs 444377 Specdb::MsMs 444378 HMDB01879 15365 AIN #<Reference:0x000055ce31f85638> #<Reference:0x000055ce31f85480> #<Reference:0x000055ce31f852c8> #<Reference:0x000055ce31f85110> #<Reference:0x000055ce31f84f30> #<Reference:0x000055ce31f84d00> #<Reference:0x000055ce31f84b20> #<Reference:0x000055ce31f84968> #<Reference:0x000055ce31f84788> #<Reference:0x000055ce31f84530> #<Reference:0x000055ce31f842d8> #<Reference:0x000055ce31f840a8> #<Reference:0x000055ce31f83f18> #<Reference:0x000055ce31f83cc0> #<Reference:0x000055ce31f83a90> #<Reference:0x000055ce31f83888> #<Reference:0x000055ce31f83658> #<Reference:0x000055ce31f833d8> #<Reference:0x000055ce31f831f8> #<Reference:0x000055ce31f82f78> #<Reference:0x000055ce31f82cd0> #<Reference:0x000055ce31f82b18> #<Reference:0x000055ce31f82960> #<Reference:0x000055ce31f82758> #<Reference:0x000055ce31f82578> Herbs and Spices Unknown generic