BIAdb Aspirin 1235

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Revision as of 10:47, 20 November 2009

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BIAdb Aspirin 1235
Systematic (IUPAC) name
2-acetyloxybenzoic acid
Identifiers
CAS number	?
ATC code	?
PubChem	2244
Chemical data
Formula	C9H8O4
Mol. mass	180.15742
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 Source 3 Function 4 General Properties 5 External Links

Description

Source

N/A

Function

Cyclooxygenase inhibitor

General Properties

*Molecular Weight

180.15742

*Exact Mass

180.042259

*Molecular Formula

C₉H₈O₄

*IUPAC NAME

2-acetyloxybenzoic acid

*Canonical Smiles

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

*Isomeric Smiles

N/A

*XLogP

1.2

*Hydrogen bond donor

1

*Hydrogen bond acceptor

4

*Rotational Bond Count

3

*Topological Polar Surface Area

63.6

External Links

• Pubchem

• KEGG

Link to BIAdb Database