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

CAS: 128732-53-6 Cat. No.: E628104 Formule: C₆H₁₀O₃ Poids moléculaire: 130.14 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: 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)
• Isomères SMILES: CCOC1(CC1)C(=O)O
• CAS alternatif: 128732-53-6
• PubChem CID: 14736975
• Poids moléculaire: 130.14

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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

Foire aux questions

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.