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CID 5281571 - ≥98% , CAS No.5281571
注文可能
GRADE & PURITY ≥98%
Storage
Room temperature
Why this grade
≥98% 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
≥98%
保管条件
Room temperature
純度
≥98%
名前と識別子
カノニカル・スマイル
C1=CC(=O)C(=C2C(=C1)C=C(C(=C2O)O)O)O
IUPAC Name
2,3,4,5-tetrahydroxybenzo[7]annulen-6-one
InChIKey
WDGFFVCWBZVLCE-UHFFFAOYSA-N
INCHI
1S/C11H8O5/c12-6-3-1-2-5-4-7(13)10(15)11(16)8(5)9(6)14/h1-4,13,15-16H,(H,12,14)
分子量
220.180
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 Hydrocarbon derivatives
- 分類 Tropones
- Subclass Tropolones
- 分類 Tropones
- Superclass Hydrocarbon derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Hydrocarbon derivatives |
| 分類 | Tropones |
| Subclass | Tropolones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tropolones |
| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Cyclic ketones Polyols Organic oxides |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Tropolone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Cyclic ketone - Polyol - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic homopolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as tropolones. These are compounds containing tropone ring with a hydroxyl group at ring position 2. |
| External Descriptors | cyclic ketone - phenols - tetrol |
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 | 220.180 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 220.037 Da |
| Monoisotopic Mass | 220.037 Da |
| Topological Polar Surface Area | 98.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 529.000 |
| 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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