6-methoxy-2H-furo[2,3-h]chromen-2-one

• ChemBase ID: 304383
• Molecular Formular: C12H8O4
• Molecular Mass: 216.18952
• Monoisotopic Mass: 216.04225874
• SMILES: c1(c2c(c3c(c1)ccc(=O)o3)cco2)OC
• Canonical SMILES: COc1cc2ccc(=O)oc2c2c1occ2
• InChI: InChI=1S/C12H8O4/c1-14-9-6-7-2-3-10(13)16-11(7)8-4-5-15-12(8)9/h2-6H,1H3
• InChIKey: DLCJNIBLOSKIQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2H-furo[2,3-h]chromen-2-one
• IUPAC Traditional name: 6-methoxyfuro[2,3-h]chromen-2-one
• Synonyms: Sphondin

Database IDs

• CAS Number: 483-66-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7848117
• LogD (pH = 7.4): 1.7848117
• Log P: 1.7848117
• Molar Refractivity: 56.8529 cm^3
• Polarizability: 22.601027 Å^3
• Polar Surface Area: 48.67 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder

Product Information

• Purity: 97.5