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9,9-Bis(Methoxymethyl)Fluorene
CAS: 182121-12-6 | C17H18O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
182121-12-6
Molecular Formula:
C17H18O2
Molecular Mass:
254.33 g/mol
Names and Synonyms:
9,9-Bis(Methoxymethyl)Fluorene
9H-Fluorene, 9,9-bis(methoxymethyl)-
9,9-Bis(methoxymethyl)-9H-fluorene
9,9-Bis(methoxymethyl)fluorene
9,9-Di(methoxymethyl)fluorene
FP 1
9,9-Bis(methoxylmethyl) fluorine
Identifiers:
SMILES:
COCC1(COC)c2ccccc2-c2ccccc21
InChI:
InChI=1S/C17H18O2/c1-18-11-17(12-19-2)15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10H,11-12H2,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 254.33 g/mol | CAS Common Chemistry |
| 254.329 g/mol | RDKit | |
| 254.130679816 g/mol | RDKit | |
| Canonical SMILES | O(C)CC1(C=2C=CC=CC2C=3C=CC=CC31)COC | CAS Common Chemistry |
| InChI | InChI=1S/C17H18O2/c1-18-11-17(12-19-2)15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10H,11-12H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZWINORFLMHROGF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 9,9-Bis(methoxymethyl)fluorene | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 3.2459000000000024 | RDKit |
| Molar Refractivity | 76.41000000000004 | RDKit |
