3-methyl-2H-furo[2,3-c]pyran-2-one

• ChemBase ID: 173736
• Molecular Formular: C8H6O3
• Molecular Mass: 150.13144
• Monoisotopic Mass: 150.03169405
• SMILES: o1ccc2c(c1)oc(=O)c2C
• Canonical SMILES: O=c1oc2c(c1C)ccoc2
• InChI: InChI=1S/C8H6O3/c1-5-6-2-3-10-4-7(6)11-8(5)9/h2-4H,1H3
• InChIKey: JUTMAMXOAOYKHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-2H-furo[2,3-c]pyran-2-one
• IUPAC Traditional name: 3-methylfuro[2,3-c]pyran-2-one
• Synonyms: Karrikinolide; KAR1; 3-Methyl 2H-Furo[2,3-c]pyran-2-one

Database IDs

• CAS Number: 857054-02-5
• PubChem SID: 164229646
• PubChem CID: 11469158

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.77929425
• LogD (pH = 7.4): 0.77929425
• Log P: 0.77929425
• Molar Refractivity: 39.7396 cm^3
• Polarizability: 14.768251 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate
• Apperance: Yellow to Orange Solid
• Melting Point: 116-118°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - M305480

Forest fires are actually beneficial for ecosystems, provided they don’t happen too often. After a fire, plants germinate and grow incredibly fast. KAR1 is a compound in smoke responsible for promoting the seed germination of a wide range of plant species

REFERENCES

• Sakuma, H., et al.: .Agric Biol. Chem., 45, 443 (1981)
• Stevens, J., et al.: Plant Soil, 298, 113 (1981)
• Nelson, D., et al.: Plant Physiol., 149, 863 (1981)