aspirin

Chemical Formula:

C₉H₇O₄

Molecular Weight:

179.152 Daltons

Monoisotopic Mass:

180.0422587452 Daltons

SMILES:

CC(OC1(C=CC=CC=1C([O-])=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)/p-1

InChIKey:

BSYNRYMUTXBXSQ-UHFFFAOYSA-M

Synonyms

Databases

MetaCyc: CPD-524

RefMet: Aspirin

HMDB: HMDB01879

Wikipedia: Aspirin

ChemSpider: 2678004

PubChem (CID): 3434975 2244

ChEBI: 13719

KEGG: C01405

Seed: cpd01006

MetaNetX: MNXM3526

CAS: 50-78-2