3',6'-Dimethoxyfluoran

• CAS: 36886-76-7
• Catalog Number: ACM36886767
• Category: Other Products
• Molecular Weight: 360.4g/mol
• Molecular Formula: C22H16O5
• IUPAC Name: 3',6'-dimethoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
• Canonical SMILES: COC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC)C5=CC=CC=C5C(=O)O3
• InChI: InChI=1S/C22H16O5/c1-24-13-7-9-17-19(11-13)26-20-12-14(25-2)8-10-18(20)22(17)16-6-4-3-5-15(16)21(23)27-22/h3-12H,1-2H3
• InChI Key: GRIKUIPJBHJPPN-UHFFFAOYSA-N
• Complexity: 549
• Covalently-Bonded Unit Count: 1
• EC Number: 253-255-7
• Exact Mass: 360.099774g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 27
• Monoisotopic Mass: 360.099774g/mol
• Rotatable Bond Count: 2
• XLogP3: 4.1