Determine the necessary mass, volume, or concentration for preparing a solution.
このグレードを選ぶ理由
ベースライン干渉を最小限に抑える必要がある、感度の高いクロマトグラフィーおよび分析ワークフロー向け。
保管・配送
Room temperature に出荷。正確な仕様については、ロット固有の COA をご確認ください。
品質書類
SDS、COA、データシート、仕様書をダウンロードできます。ロット固有の COA はロット番号検索で入手可能です。
文献的裏付け
クロマトグラフィー、有機合成、クロスカップリング反応に関する 0 件の査読済み論文で引用されています。
仕様
保管条件
Room temperature
アクションタイプ
INHIBITOR
名前と識別子
カノニカル・スマイル
COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)O)OC
IUPAC Name
6-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
InChIKey
CQULNEWSZBPFNL-UHFFFAOYSA-N
INCHI
1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-16(21-2)14(18)7-12(15)17(13)19/h3-9,18H,1-2H3
異性体SMILES
COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)O)OC
代替CAS番号
970-48-9
PubChem CID
12132870
ドキュメント
📋 安全データシート（SDS）
危険性、取扱い、保管、および規制遵守を網羅した包括的な文書。
<<<<<<< HEAD SDS をダウンロード → ======= SDS をダウンロード → >>>>>>> release248-p3詳細データ
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
- 分類 Isoflavonoids
- Subclass O-methylated isoflavonoids
- Level5 7-O-methylated isoflavonoids
- Level6 7-O-methylisoflavones
- Level5 7-O-methylated isoflavonoids
- Subclass O-methylated isoflavonoids
- 分類 Isoflavonoids
- Superclass Phenylpropanoids and polyketides
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| 分類 | Isoflavonoids |
| Subclass | O-methylated isoflavonoids |
| Intermediate Tree Nodes | 7-O-methylated isoflavonoids |
| Direct Parent | 7-O-methylisoflavones |
| Alternative Parents | 4'-O-methylisoflavones Isoflavones Hydroxyisoflavonoids Chromones Phenoxy compounds Methoxybenzenes Anisoles Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 4p-o-methylisoflavone - 7-o-methylisoflavone - Hydroxyisoflavonoid - Isoflavone - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as 7-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C7 atom of the isoflavone backbone. |
| External Descriptors | Isoflavonoids |
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 | 298.290 g/mol |
|---|---|
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 298.084 Da |
| Monoisotopic Mass | 298.084 Da |
| Topological Polar Surface Area | 65.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 438.000 |
| 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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