3-Cyclopentylpropionic acid - ≥98% , CAS No.140-77-2

CAS: 140-77-2 Cat. No.: W132385 Fórmula: C₅H₉CH₂CH₂CO₂H Peso molecular: 142.2 Número CE: 205-433-0 PubChem CID: 8818

GRADE & PURITY ≥98%

Synonyms

EINECS 205-433-0 | J-512367 | A3041 | Cyclopentanepropanoic acid | Z104478044 | NSC8771 | NSC-8771 | F2191-0135 | SCHEMBL2800 | AKOS000119520 | NSC 8771 | AI3-14247 | Q5200280 | CHEBI:50899 | STL112265 | 3-Cyclopentylpropionicacid | 931H8F0JEE | C2934 | C

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EINECS 205-433-0 | J-512367 | A3041 | Cyclopentanepropanoic acid | Z104478044 | NSC8771 | NSC-8771 | F2191-0135 | SCHEMBL2800 | AKOS000119520 | NSC 8771 | AI3-14247 | Q5200280 | CHEBI:50899 | STL112265 | 3-Cyclopentylpropionicacid | 931H8F0JEE | C2934 | C

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488180888

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180888

Sorrisos canónicos

C1CCC(C1)CCC(=O)O

IUPAC Name

3-cyclopentylpropanoic acid

InChIKey

ZRPLANDPDWYOMZ-UHFFFAOYSA-N

INCHI

1S/C8H14O2/c9-8(10)6-5-7-3-1-2-4-7/h7H,1-6H2,(H,9,10)

SMILES isoméricas

C1CCC(C1)CCC(=O)O

WGK Alemanha

3

PubChem CID

8818

Número UN

1993

Grupo de embalagem

III

Peso molecular

142.2

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• External Descriptors: monocarboxylic acid

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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.46
• Ponto de inflamação (°F): 116.6 °F
• Ponto de inflamação (°C): 47 °C
• Ponto de ebulição (°C): 123 °C/6 mmHg
• Peso molecular: 142.200 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 142.099 Da
• Monoisotopic Mass: 142.099 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% 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 140-77-2, the molecular formula is C8H14O2, and the molecular weight is 142.2 g/mol. InChIKey ZRPLANDPDWYOMZ-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.