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5-(3,5-Dimethoxyphenyl)-5-oxovaleric acid , CAS No.898792-55-7
Disponible para pedir
Storage
Room temperature
Shipped In
Normal
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Nombres e identificadores
| Sonrisas canónicas | COC1=CC(=CC(=C1)C(=O)CCCC(=O)O)OC |
|---|---|
| IUPAC Name | 5-(3,5-dimethoxyphenyl)-5-oxopentanoic acid |
| InChIKey | GWWBYOZFGUNDBP-UHFFFAOYSA-N |
| INCHI | 1S/C13H16O5/c1-17-10-6-9(7-11(8-10)18-2)12(14)4-3-5-13(15)16/h6-8H,3-5H2,1-2H3,(H,15,16) |
| Isómeros SMILES | COC1=CC(=CC(=C1)C(=O)CCCC(=O)O)OC |
| PubChem CID | 24727093 |
| Peso molecular | 252.266 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organic oxygen compounds
- Clase Organooxygen compounds
- Subclass Carbonyl compounds
- Level5 Ketones
- Level6 Aryl ketones
- Level7 Phenylketones
- Level8 Alkyl-phenylketones
- Level7 Phenylketones
- Level6 Aryl ketones
- Level5 Ketones
- Subclass Carbonyl compounds
- Clase Organooxygen compounds
- Superclass Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Butyrophenones Dimethoxybenzenes Phenoxy compounds Medium-chain fatty acids Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alkyl-phenylketone - Butyrophenone - Dimethoxybenzene - M-dimethoxybenzene - Benzoyl - Phenoxy compound - Phenol ether - Medium-chain fatty acid - Aryl alkyl ketone - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Fatty acid - Fatty acyl - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
Estructura 3D
Modelo de Estructura Química Interactiva
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
| Peso molecular | 252.260 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 252.1 Da |
| Monoisotopic Mass | 252.1 Da |
| Topological Polar Surface Area | 72.800 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 277.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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