(1S,5S)-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid - ≥97% , CAS No.1427158-38-0

CAS: 1427158-38-0 Cat. No.: O679313 Molecular Weight: 128.13 PubChem CID: 71515801

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1C2C1(COC2)C(=O)O
• IUPAC Name: (1S,5S)-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid
• InChIKey: KXQPXWJVQITPAZ-INEUFUBQSA-N
• INCHI: 1S/C6H8O3/c7-5(8)6-1-4(6)2-9-3-6/h4H,1-3H2,(H,7,8)/t4-,6-/m1/s1
• Isomeric SMILES: C1[C@H]2[C@@]1(COC2)C(=O)O
• PubChem CID: 71515801
• Molecular Weight: 128.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Cyclopropanecarboxylic acids Oxolanes Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Cyclopropanecarboxylic acid - Cyclopropanecarboxylic acid or derivatives - Oxane - Oxolane - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Carbonyl group - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five 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