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Ethyl 1-isocyanocyclohexanecarboxylate - ≥95% , CAS No.97846-69-0
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 | CCOC(=O)C1(CCCCC1)[N+]#[C-] |
|---|---|
| IUPAC Name | ethyl 1-isocyanocyclohexane-1-carboxylate |
| InChIKey | SMWFSZZMKYXJQU-UHFFFAOYSA-N |
| INCHI | 1S/C10H15NO2/c1-3-13-9(12)10(11-2)7-5-4-6-8-10/h3-8H2,1H3 |
| 異性体SMILES | CCOC(=O)C1(CCCCC1)[N+]#[C-] |
| PubChem CID | 4213438 |
| 分子量 | 181.23 |
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
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 | 181.230 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 181.11 Da |
| Monoisotopic Mass | 181.11 Da |
| Topological Polar Surface Area | 30.700 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 233.000 |
| 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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