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2-(2-Methylvaleryl)oxazole , CAS No.898759-23-4
Disponível para encomenda
Storage
Room temperature
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Pesquisa
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships 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
Condições de armazenamento de armazenamento
Room temperature
Nomes e identificadores
Sorrisos canónicos
CCCC(C)C(=O)C1=NC=CO1
IUPAC Name
2-methyl-1-(1,3-oxazol-2-yl)pentan-1-one
InChIKey
SDWUEGRLDHTQOQ-UHFFFAOYSA-N
INCHI
1S/C9H13NO2/c1-3-4-7(2)8(11)9-10-5-6-12-9/h5-7H,3-4H2,1-2H3
SMILES isoméricas
CCCC(C)C(=O)C1=NC=CO1
PubChem CID
24723621
Peso molecular
167.208
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
- Classe Organooxygen compounds
- Subclass Carbonyl compounds
- Level5 Ketones
- Level6 Aryl ketones
- Level7 Aryl alkyl ketones
- Level6 Aryl ketones
- Level5 Ketones
- Subclass Carbonyl compounds
- Classe Organooxygen compounds
- Superclass Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Classe | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones |
| Direct Parent | Aryl alkyl ketones |
| Alternative Parents | Oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl alkyl ketone - Heteroaromatic compound - Oxazole - Azole - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aldehyde - Aromatic heteromonocyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. |
| External Descriptors | Not available |
Estrutura 3D
Modelo de Estrutura Química Interativa
Certificados（CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
| Peso molecular | 167.200 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 167.095 Da |
| Monoisotopic Mass | 167.095 Da |
| Topological Polar Surface Area | 43.100 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 159.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Calculadoras de soluções
Revisões
Avaliações dos Clientes
Perguntas frequentes
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 898759-23-4, the molecular formula is C9H13NO2, and the molecular weight is 167.208 g/mol. InChIKey SDWUEGRLDHTQOQ-UHFFFAOYSA-N.
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