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Molecule
9,9-Bis(4-Glycidyloxyphenyl)Fluorene
CAS: 47758-37-2 · C31H26O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 47758-37-2
- Molecular Formula
- C31H26O4
- Molecular Mass
- 462.55 g/mol
Identifiers
CAS Registry Number
47758-37-2
SMILES
c1ccc2c(c1)-c1ccccc1C2(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)cc1
InChI Key
LCSAOPVSVLGDLE-UHFFFAOYSA-N
InChI
InChI=1S/C31H26O4/c1-3-7-29-27(5-1)28-6-2-4-8-30(28)31(29,21-9-13-23(14-10-21)32-17-25-19-34-25)22-11-15-24(16-12-22)33-18-26-20-35-26/h1-16,25-26H,17-20H2
Names and Synonyms
- 9,9-Bis(4-Glycidyloxyphenyl)Fluorene Synonym
- Oxirane, 2,2′-[9H-fluoren-9-ylidenebis(4,1-phenyleneoxymethylene)]bis- Synonym
- 2,2′-[9H-Fluoren-9-ylidenebis(4,1-phenyleneoxymethylene)]bis[oxirane] Synonym
- 9,9-Bis(4-glycidyloxyphenyl)fluorene Synonym
- Bisphenolfluorene diglycidyl ether Synonym
- Bisphenol FL diglycidyl ether Synonym
- 9,9-Bis(4-glycidoxyphenyl)fluorene Synonym
- 9,9′-Bis(4-glycidyloxyphenyl)fluorene Synonym
- 2-[[4-[9-[4-(Oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 462.55 g/mol | CAS Common Chemistry |
| 462.54500000000024 g/mol | RDKit | |
| 462.545 g/mol | RDKit | |
| Canonical SMILES | O(C1=CC=C(C=C1)C2(C3=CC=C(OCC4OC4)C=C3)C=5C=CC=CC5C=6C=CC=CC62)CC7OC7 | CAS Common Chemistry |
| InChI | InChI=1S/C31H26O4/c1-3-7-29-27(5-1)28-6-2-4-8-30(28)31(29,21-9-13-23(14-10-21)32-17-25-19-34-25)22-11-15-24(16-12-22)33-18-26-20-35-26/h1-16,25-26H,17-20H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LCSAOPVSVLGDLE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 153 °C | CAS Common Chemistry |
| Name | 9,9-Bis(4-glycidyloxyphenyl)fluorene | CAS Common Chemistry |
| Heavy Atom Count | 35 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 43.519999999999996 Ų | RDKit |
| 43.52 Ų | RDKit | |
| LogP | 5.604900000000006 | RDKit |
| 5.6049 | RDKit | |
| 5.18 | chempirical lib | |
| Molar Refractivity | 134.21599999999992 cm³/mol | RDKit |
| Ring Count | 7 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2258 | RDKit |
| 0.23 | chempirical lib | |
| Exact Mass | 462.18310931199994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 462.55 g/mol. Edit any field — others recompute live.
