2-oxabicyclo[2.2.2]octane-4-carboxylic acid - ≥97% , CAS No.2168906-49-6

CAS: 2168906-49-6 Cat. No.: O631920 Molecular Weight: 156.18 EC Number: 871-207-9 PubChem CID: 135392984

GRADE & PURITY ≥97%

Synonyms

MFCD31705694 | SY285909 | 2-oxabicyclo[2.2.2]octane-4-carboxylicacid | EN300-7353714 | 2168906-49-6 | 2-oxabicyclo[2.2.2]octane-4-carboxylic acid | PS-20331 | AT20242

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

MFCD31705694 | SY285909 | 2-oxabicyclo[2.2.2]octane-4-carboxylicacid | EN300-7353714 | 2168906-49-6 | 2-oxabicyclo[2.2.2]octane-4-carboxylic acid | PS-20331 | AT20242

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC2(CCC1OC2)C(=O)O
• IUPAC Name: 2-oxabicyclo[2.2.2]octane-4-carboxylic acid
• InChIKey: GMJTZQUTKHEYDW-UHFFFAOYSA-N
• INCHI: 1S/C8H12O3/c9-7(10)8-3-1-6(2-4-8)11-5-8/h6H,1-5H2,(H,9,10)
• Isomeric SMILES: C1CC2(CCC1OC2)C(=O)O
• Alternate CAS: 2168906-49-6
• PubChem CID: 135392984
• Molecular Weight: 156.18

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Heterocyclic fatty acids
• Alternative Parents: Branched fatty acids Oxanes Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Heterocyclic fatty acid - Branched fatty acid - Oxane - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as heterocyclic fatty acids. These are fatty acids containing a heterocyclic attached to the acyl 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