4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid structure

4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid

4-ethoxycarbonylbicyclo[2.2.2]octane-1-carboxylic acid

Also Known As: 4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid|Enamine_002030|Oprea1_007716|0297AF|4-ethoxycarbonylbicyclo[2.2.2]octane-1-carboxylic acid|NCGC00321751-01|4-(Ethoxycarbonyl)bicyclo-[2.2.2]octane-1-carboxylic acid|AB01317723-02|AE-848/32610058|Bicyclo[2.2.2]octane-1,4-dicarboxylic acid, Monoethyl ester|Bicyclo[2.2.2]octane-1,4-dicarboxylic acid 1-ethyl ester|4-(ethoxycarbonyl)bicyclo[2.2.2]octanecarboxylic acid|1-ethoxycarbonylbicyclo[2.2.2]octane-4-carboxylic acid|4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylicacid|bicyclo[2.2.2]octane-1,4-dicarboxylic acid monoethyl ester

CAS: 834-50-4
Molecular Formula C12H18O4
Molecular Weight 226.12051 g/mol
LogP 1.3
Topological Polar Surface Area 63.6 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 226.12051
Monoisotopic Mass 226.12051
Heavy Atoms 16
Complexity 296.0

Chemical Identifiers

CAS Number 834-50-4
SMILES CCOC(=O)C12CCC(CC1)(CC2)C(=O)O
InChIKey AKCJDZLLWVXNFU-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.

Heterocyclic Building Blocks (9 patents) Pharmaceutical Intermediates (12 patents)

Product Overview

4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid (CAS 834-50-4), with molecular formula C12H18O4 and molecular weight 226.12051 g/mol. IUPAC: 4-ethoxycarbonylbicyclo[2.2.2]octane-1-carboxylic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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