![4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid structure](/static/products/6971/6971-52-4.webp)
4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid
4-[4-(5-ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid
Also Known As: 3-Methoxy-2-methylphenol|4-[4-(5-ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid|4-[4-(4-ETHOXYCARBONYLBUTYL)PHENYL]-4-OXO-BUTANOIC ACID|Benzenepentanoic acid,4-(3-carboxy-1-oxopropyl)-, 1-ethyl ester
CAS: 6971-52-4
| Molecular Formula | C17H22O5 |
|---|---|
| Molecular Weight | 306.14673 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 306.14673 |
| Monoisotopic Mass | 306.14673 |
| Heavy Atoms | 22 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 6971-52-4 |
|---|---|
| SMILES | CCOC(=O)CCCCC1=CC=C(C=C1)C(=O)CCC(=O)O |
| InChIKey | ANWOGFBOBACIPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (2 patents)
Pharmaceutical Intermediates (2 patents)
Product Overview
4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid (CAS 6971-52-4), with molecular formula C17H22O5 and molecular weight 306.14673 g/mol. IUPAC: 4-[4-(5-ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid.
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.
View MSDS →
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