3-Methyl-2h-Furo[2,3-C]pyran-2-One , CAS No.857054-02-5

CAS: 857054-02-5 Cat. No.: M1360140 PubChem CID: 11469158

Storage

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Shipped In

Ice chest + Ice pads

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Canonical Smiles: CC1=C2C=COC=C2OC1=O
• IUPAC Name: 3-methylfuro[2,3-c]pyran-2-one
• InChIKey: JUTMAMXOAOYKHT-UHFFFAOYSA-N
• INCHI: 1S/C8H6O3/c1-5-6-2-3-10-4-7(6)11-8(5)9/h2-4H,1H3
• Isomeric SMILES: CC1=C2C=COC=C2OC1=O
• Alternate CAS: 857054-02-5
• PubChem CID: 11469158
• MeSH Entry Terms: 3-methyl-2H-furo(2,3-c)pyran-2-one;KAR(1) cpd;karrikin;karrikin 1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Furopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Furopyrans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Furopyrans
• Alternative Parents: Pyrans Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furopyran - Pyran - Heteroaromatic compound - Furan - Lactone - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.
• 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

Chemical and Physical Properties

• Molecular Weight: 150.130 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 150.032 Da
• Monoisotopic Mass: 150.032 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 307.000
• 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