Poly(ethylene adipate) - average Mw ~10,000 by GPC , CAS No.24938-37-2

CAS: 24938-37-2 Cat. No.: P475893 分子式: [OCH₂CH₂O₂C(CH₂)₄CO]n EC番号: 607-461-2 PubChem CID: 6454865

GRADE & PURITY average Mw ~10,000 by GPC

Synonyms

EINECS 264-851-1 | ethane-1,2-diol;hexanedioic acid | Hexanedioic acid, ester with 1,2-ethanediol | DTXSID80214582 | SCHEMBL206256

Storage

Room temperature

Specifications

同義語

EINECS 264-851-1 | ethane-1,2-diol;hexanedioic acid | Hexanedioic acid, ester with 1,2-ethanediol | DTXSID80214582 | SCHEMBL206256

仕様と純度

average Mw ~10,000 by GPC

保管条件

Room temperature

名前と識別子

カノニカル・スマイル

C(CCC(=O)O)CC(=O)O.C(CO)O

IUPAC Name

ethane-1,2-diol;hexanedioic acid

InChIKey

FZWBABZIGXEXES-UHFFFAOYSA-N

INCHI

1S/C6H10O4.C2H6O2/c7-5(8)3-1-2-4-6(9)10;3-1-2-4/h1-4H2,(H,7,8)(H,9,10);3-4H,1-2H2

異性体SMILES

C(CCC(=O)O)CC(=O)O.C(CO)O

PubChem CID

6454865

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: Medium-chain fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives 1,2-diols Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Medium-chain fatty acid - Dicarboxylic acid or derivatives - 1,2-diol - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• 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: 208.210 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 208.095 Da
• Monoisotopic Mass: 208.095 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 120.000
• 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: 2

XLogP3

よくある質問

How should this product be stored?

Store at room temperature.

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

The CAS Number is 24938-37-2, the molecular formula is [OCH2CH2O2C(CH2)4CO]n. InChIKey FZWBABZIGXEXES-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.