BIAdb Aspirin 1235

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Revision as of 00:00, 15 January 2001

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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

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

Link to BIAdb Database