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

• ChemBase ID: 151913
• Molecular Formular: C23H14O6
• Molecular Mass: 386.35366
• Monoisotopic Mass: 386.07903817
• SMILES: C=CC(=O)Oc1ccc2c(c1)Oc1cc(ccc1C12c2ccccc2C(=O)O1)O
• Canonical SMILES: C=CC(=O)Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O
• InChI: InChI=1S/C23H14O6/c1-2-21(25)27-14-8-10-18-20(12-14)28-19-11-13(24)7-9-17(19)23(18)16-6-4-3-5-15(16)22(26)29-23/h2-12,24H,1H2
• InChIKey: VYLDMXSRCVCHNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6'-hydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3'-yl prop-2-enoate
• IUPAC Traditional name: 6'-hydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl prop-2-enoate
• Synonyms: 3’-Acryloxyspirobenzo[c]-furan[1,9’]xanthen-3-one; Acryloyloxy fluorescein; Fluorescein o-acrylate; 3'-丙烯酰氧基螺苯并[c]-呋喃[1,9']呫吨-3-酮; 丙烯酰氧基荧光素; 荧光素邻丙烯酸

Database IDs

• CAS Number: 193419-86-2
• PubChem SID: 24880227; 162246059
• PubChem CID: 5072272

CALCULATED PROPERTIES

• Acid pKa: 9.020034
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.780665
• LogD (pH = 7.4): 4.7705665
• Log P: 4.7807956
• Molar Refractivity: 105.0193 cm^3
• Polarizability: 39.82921 Å^3
• Polar Surface Area: 82.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 231-233 °C(lit.)
• Absorption Wavelength: λmax 490 nm

Safety Information

• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/37/38-51/53
• Safety Statements: 26-28-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H411
• GHS Precautionary statements: P261-P273-P305 + P351 + P338
• RID/ADR: UN 3077 9/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C23H14O6

DETAILS

Sigma Aldrich - 568856

Frequently Asked Questions
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Application
Fluorescent monomer
Packaging
1 g in glass bottle
500 mg in glass bottle