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1-Cyclopropyl-4-oxocyclohexanecarbonitrile - ≥95% , CAS No.960370-97-2
注文可能
GRADE & PURITY ≥95%
Storage
Room temperature
Why this grade
≥95% 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
仕様と純度
≥95%
保管条件
Room temperature
純度
≥95%
名前と識別子
| カノニカル・スマイル | C1CC1C2(CCC(=O)CC2)C#N |
|---|---|
| IUPAC Name | 1-cyclopropyl-4-oxocyclohexane-1-carbonitrile |
| InChIKey | PHPMGMPLWGFZKK-UHFFFAOYSA-N |
| INCHI | 1S/C10H13NO/c11-7-10(8-1-2-8)5-3-9(12)4-6-10/h8H,1-6H2 |
| 異性体SMILES | C1CC1C2(CCC(=O)CC2)C#N |
| PubChem CID | 53407212 |
| 分子量 | 163.22 |
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
- 分類 Organooxygen compounds
- Subclass Carbonyl compounds
- Level5 Ketones
- Level6 Cyclic ketones
- Level5 Ketones
- Subclass Carbonyl compounds
- 分類 Organooxygen compounds
- Superclass Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| 分類 | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones |
| Direct Parent | Cyclic ketones |
| Alternative Parents | Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Cyclic ketone - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic homomonocyclic compound |
| 説明 | 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 |
3 D構造
インタラクティブ化学構造モデル
証明書（CoA、COO、BSE/TSEと分析図）
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
| 分子量 | 163.220 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 163.1 Da |
| Monoisotopic Mass | 163.1 Da |
| Topological Polar Surface Area | 40.900 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 246.000 |
| 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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