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2-(Hydroxymethyl)cyclopent-2-en-1-one - ≥95% , CAS No.68882-71-3
DISPONIBLE À COMMANDE
GRADE & PURITY ≥95%
Storage
Room temperature
Shipped In
Normal
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Why this grade
≥95% 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
Spécifications et pureté
≥95%
Conditions de stockage de stockage
Room temperature
Expédié en
Normal
Pureté
≥95%
Noms et identifiants
| Sourires canoniques | C1CC(=O)C(=C1)CO |
|---|---|
| IUPAC Name | 2-(hydroxymethyl)cyclopent-2-en-1-one |
| InChIKey | DQTFESRTIZHRRO-UHFFFAOYSA-N |
| INCHI | 1S/C6H8O2/c7-4-5-2-1-3-6(5)8/h2,7H,1,3-4H2 |
| Isomères SMILES | C1CC(=O)C(=C1)CO |
| PubChem CID | 328561 |
| Poids moléculaire | 112.13 |
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 Cyclic 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 |
| Direct Parent | Cyclic ketones |
| Alternative Parents | Primary alcohols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Cyclic ketone - Organic oxide - Hydrocarbon derivative - Primary alcohol - Alcohol - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. |
| External Descriptors | Not available |
Structure 3D
Modèle de structure chimique interactif
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
| Poids moléculaire | 112.130 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 112.052 Da |
| Monoisotopic Mass | 112.052 Da |
| Topological Polar Surface Area | 37.300 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 135.000 |
| 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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