Cytembena , CAS No.21739-91-3

CAS: 21739-91-3 Cat. No.: C1270118 分子式: C₁₁H₈BrNaO₄ 分子量: 307.07

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

保管条件

Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

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)C(=O)/C(=C\C(=O)[O-])/Br.[Na+]
• IUPAC Name: sodium;(E)-3-bromo-4-(4-methoxyphenyl)-4-oxobut-2-enoate
• InChIKey: DVDCIQWIGOVWEX-MLBSPLJJSA-M
• INCHI: 1S/C11H9BrO4.Na/c1-16-8-4-2-7(3-5-8)11(15)9(12)6-10(13)14;/h2-6H,1H3,(H,13,14);/q;+1/p-1/b9-6+
• 分子量: 307.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Aryl ketones Anisoles Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Vinylogous halides Acryloyl compounds Alpha-haloketones Enones Carboxylic acid salts Vinyl bromides Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Bromoalkenes Hydrocarbon derivatives Organic oxides Organic sodium salts Organobromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Aryl ketone - Alkyl aryl ether - Alpha-branched alpha,beta-unsaturated-ketone - Alpha-haloketone - Acryloyl-group - Enone - Vinylogous halide - Alpha,beta-unsaturated ketone - Carboxylic acid salt - Ketone - Organic metal halide - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Ether - Bromoalkene - Monocarboxylic acid or derivatives - Haloalkene - Vinyl bromide - Vinyl halide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Organic oxide - Organic sodium salt - Organic salt - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 分子量: 307.070 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 305.95 Da
• Monoisotopic Mass: 305.95 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 309.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3

よくある質問

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 21739-91-3, the molecular formula is C11H8BrNaO4, and the molecular weight is 307.07 g/mol. InChIKey DVDCIQWIGOVWEX-MLBSPLJJSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.