2-ペンチノイン酸 - ≥97% , CAS No.5963-77-9

CAS: 5963-77-9 Cat. No.: P137286 分子式: C₅H₆O₂ 分子量: 98.1 EC番号: 626-205-0 PubChem CID: 324379

GRADE & PURITY ≥97%

Synonyms

SY152565 | A869160 | DTXSID70314888 | EN300-140007 | AKOS006376608 | Z1205493735 | D84135 | MINRDQDGBLQBGD-UHFFFAOYSA-N | 2-Pentynoic acid, 97% | 2-PENTYNOIC ACID | pent-2-ynoic acid | AS-56922 | Pentynoic acid | MFCD00014370 | Ethylacetylene carboxylic a

Storage

Room temperature

Shipped In

ノーマル

概要

製品用途

2-ペンチノイン酸は、ビニルスタンナン類の立体選択的合成に使用される。また、スピロインドリン誘導体の合成にも使用される。

Specifications

同義語

SY152565 | A869160 | DTXSID70314888 | EN300-140007 | AKOS006376608 | Z1205493735 | D84135 | MINRDQDGBLQBGD-UHFFFAOYSA-N | 2-Pentynoic acid, 97% | 2-PENTYNOIC ACID | pent-2-ynoic acid | AS-56922 | Pentynoic acid | MFCD00014370 | Ethylacetylene carboxylic a

仕様と純度

≥97%

保管条件

Room temperature

入荷

ノーマル

純度

≥97%

名前と識別子

• パブケム・シド: 488189504
• カノニカル・スマイル: CCC#CC(=O)O
• IUPAC Name: pent-2-ynoic acid
• InChIKey: MINRDQDGBLQBGD-UHFFFAOYSA-N
• INCHI: 1S/C5H6O2/c1-2-3-4-5(6)7/h2H2,1H3,(H,6,7)
• 異性体SMILES: CCC#CC(=O)O
• WGKドイツ: 1
• PubChem CID: 324379
• 分子量: 98.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Straight chain fatty acids
• Alternative Parents: Unsaturated fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Unsaturated fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
• 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

• 引火点（°F）: 205°F
• 引火点（°C）: 96 °C
• 融点（°C）: 47-53°
• 分子量: 98.100 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 98.0368 Da
• Monoisotopic Mass: 98.0368 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 124.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 5963-77-9, the molecular formula is C5H6O2, and the molecular weight is 98.1 g/mol. InChIKey MINRDQDGBLQBGD-UHFFFAOYSA-N.

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.