6'-[(2-methylprop-2-enoyl)oxy]-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3'-yl 2-methylprop-2-enoate

• ChemBase ID: 151916
• Molecular Formular: C28H20O7
• Molecular Mass: 468.4542
• Monoisotopic Mass: 468.12090298
• SMILES: CC(=C)C(=O)Oc1ccc2c(c1)Oc1cc(ccc1C12c2ccccc2C(=O)O1)OC(=O)C(=C)C
• Canonical SMILES: O=C(C(=C)C)Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)OC(=O)C(=C)C
• InChI: InChI=1S/C28H20O7/c1-15(2)25(29)32-17-9-11-21-23(13-17)34-24-14-18(33-26(30)16(3)4)10-12-22(24)28(21)20-8-6-5-7-19(20)27(31)35-28/h5-14H,1,3H2,2,4H3
• InChIKey: IJMJZIOPZNRQMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6'-[(2-methylprop-2-enoyl)oxy]-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3'-yl 2-methylprop-2-enoate
• IUPAC Traditional name: 6'-[(2-methylprop-2-enoyl)oxy]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl 2-methylprop-2-enoate
• Synonyms: 3’,6′-Dimethacryloxyspirobenzo[c]-furan[1,9’]xanthen-3-one; Dimethacryloyloxyfluorescein; Fluorescein O,O′-dimethacrylate; 3',6′-二甲基丙烯酰氧基螺苯并[c]-呋喃[1,9']呫吨-3-酮; 二甲基丙烯酰氧基荧光素; 荧光素O,O′-二甲基丙烯酸酯

Database IDs

• CAS Number: 206444-58-8
• PubChem SID: 162246062; 24880537
• PubChem CID: 4349608

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.472349
• LogD (pH = 7.4): 6.472349
• Log P: 6.472349
• Molar Refractivity: 127.5327 cm^3
• Polarizability: 48.93204 Å^3
• Polar Surface Area: 88.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 154.5-156.0 °C(lit.)
• Absorption Wavelength: 203 nm

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C28H20O7

DETAILS

Sigma Aldrich - 570249

Application
Fluorescent monomer
Packaging
1 g in glass bottle
100 mg in glass bottle