Molecular Identity
Aspirin
2-acetyloxybenzoic acid
PubChem CID: 2244
Aspirin can cause developmental toxicity and female reproductive toxicity according to an independent committee of scientific and health experts.
2D Structure
Properties
C9H8O4
Molecular Formula
180.16
Molecular Weight
g/mol
180.0423
Exact Mass
Da
1.2
XLogP
Drug-like (Lipinski: < 5)
63.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
212
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)OC1=CC=CC=C1C(=O)OIsomeric SMILES
SMILES: CC(=O)OC1=CC=CC=C1C(=O)OSynonyms(20)
aspirinACETYLSALICYLIC ACID50-78-22-Acetoxybenzoic acid2-(Acetyloxy)benzoic acidAcylpyrinO-Acetylsalicylic acido-Acetoxybenzoic acidAcenterineAcetophenEcotrinSalicylic acid acetateAceticylAcetosalinPolopiryna
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Aspirin
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