3-oxo-6'-(prop-2-enoyloxy)-3H-spiro[2-benzofuran-1,9'-xanthene]-3'-yl prop-2-enoate

• ChemBase ID: 151826
• Molecular Formular: C26H16O7
• Molecular Mass: 440.40104
• Monoisotopic Mass: 440.08960285
• SMILES: C=CC(=O)Oc1ccc2c(c1)Oc1cc(ccc1C12c2ccccc2C(=O)O1)OC(=O)C=C
• Canonical SMILES: C=CC(=O)Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)OC(=O)C=C
• InChI: InChI=1S/C26H16O7/c1-3-23(27)30-15-9-11-19-21(13-15)32-22-14-16(31-24(28)4-2)10-12-20(22)26(19)18-8-6-5-7-17(18)25(29)33-26/h3-14H,1-2H2
• InChIKey: GTQZGVDHWVBMOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-oxo-6'-(prop-2-enoyloxy)-3H-spiro[2-benzofuran-1,9'-xanthene]-3'-yl prop-2-enoate
• IUPAC Traditional name: 3-oxo-6'-(prop-2-enoyloxy)spiro[2-benzofuran-1,9'-xanthene]-3'-yl prop-2-enoate
• Synonyms: 3’,6′-Diacryloxyspirobenzo[c]-furan[1,9’]xanthen-3-one; Diacryloyloxyfluorescein; Fluorescein O,O′-diacrylate; 3',6′-二丙烯酰氧基螺苯并[c]-呋喃[1,9']呫吨-3-酮; 二丙烯酰氧基荧光素; 荧光素O,O′-二丙烯酸酯

Database IDs

• CAS Number: 7262-39-7
• MDL Number: MFCD00673249
• PubChem SID: 24880538; 162245972
• PubChem CID: 4589514

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.681248
• LogD (pH = 7.4): 5.681248
• Log P: 5.681248
• Molar Refractivity: 118.8185 cm^3
• Polarizability: 45.2563 Å^3
• Polar Surface Area: 88.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 160-163 °C(lit.)
• Absorption Wavelength: λmax 203 nm

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C26H16O7

DETAILS

Sigma Aldrich - 570257

Application
Fluorescent monomer
Packaging
500 mg in glass bottle