1-ethoxycyclopropanecarboxylic acid - ≥97% , CAS No.128732-53-6

CAS: 128732-53-6 Cat. No.: E628104 分子式: C₆H₁₀O₃ 分子量: 130.14 EC番号: 994-451-9 PubChem CID: 14736975

GRADE & PURITY ≥97%

Synonyms

1-ethoxyCyclopropanecarboxylic acid | AKOS030627841 | MFCD28128800 | AS-36771 | Cyclopropanecarboxylic acid, 1-ethoxy- | EN300-6245909 | FT-0756611 | SY241659 | SCHEMBL14234405 | 1-ethoxyCyclopropanecarboxylicacid | 1-Ethoxycyclopropane-1-carboxylic acid

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

1-ethoxyCyclopropanecarboxylic acid | AKOS030627841 | MFCD28128800 | AS-36771 | Cyclopropanecarboxylic acid, 1-ethoxy- | EN300-6245909 | FT-0756611 | SY241659 | SCHEMBL14234405 | 1-ethoxyCyclopropanecarboxylicacid | 1-Ethoxycyclopropane-1-carboxylic acid

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• カノニカル・スマイル: CCOC1(CC1)C(=O)O
• IUPAC Name: 1-ethoxycyclopropane-1-carboxylic acid
• InChIKey: AOKRPAVLUNGZQE-UHFFFAOYSA-N
• INCHI: 1S/C6H10O3/c1-2-9-6(3-4-6)5(7)8/h2-4H2,1H3,(H,7,8)
• 異性体SMILES: CCOC1(CC1)C(=O)O
• 代替CAS番号: 128732-53-6
• PubChem CID: 14736975
• 分子量: 130.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Cyclopropanecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Cyclopropanecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclopropanecarboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclopropanecarboxylic acid - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as cyclopropanecarboxylic acids. These are organic compounds containing a carboxyl group attached to a cyclopropane ring.
• 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: 130.139 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 130.063 Da
• Monoisotopic Mass: 130.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 126.000
• 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 128732-53-6, the molecular formula is C6H10O3, and the molecular weight is 130.14 g/mol. InChIKey AOKRPAVLUNGZQE-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.