Aspirin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2076
Total Number of Articles : 4952
PubChem 2244
Molecular Formula

C9H8O4

SMILES

CC(=O)OC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)

synonyms
  • aspirin
  • ACETYLSALICYLIC ACID
  • 50-78-2
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Properties
Property Value
MW 180.16 g/mol
HBD 1
HBA 4
Rotatable Bond Count 3
Exact Mass 180.04225873 g/mol
Monoisotopic Mass 180.04225873 g/mol
Heavy Atom Count 13
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 212
xlogp 1.2
Topological Polar Surface Area 63.6