BIAdb Aspirin 1235
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(Difference between revisions)
Revision as of 00:00, 15 January 2001
BIAdb Aspirin 1235
| |
Systematic (IUPAC) name | |
2-acetyloxybenzoic acid | |
Identifiers | |
CAS number | ? |
ATC code | ? |
PubChem | |
Chemical data | |
Formula | C9H8O4 |
Mol. mass | 180.15742 |
SMILES | & |
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