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9H-Fluorene-9,9-Dimethanol
CAS: 4425-93-8 | C15H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4425-93-8
Molecular Formula:
C15H14O2
Molecular Mass:
226.27 g/mol
Names and Synonyms:
9H-Fluorene-9,9-Dimethanol
9H-Fluorene-9,9-dimethanol
Fluorene-9,9-dimethanol
9,9-Bis(hydroxymethyl)fluorene
NSC 402230
(9H-Fluorene-9,9-diyl)dimethanol
[9-(Hydroxymethyl)fluoren-9-yl]methanol
Identifiers:
SMILES:
OCC1(CO)c2ccccc2-c2ccccc21
InChI:
InChI=1S/C15H14O2/c16-9-15(10-17)13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,16-17H,9-10H2
Key Properties
Melting Point
145.5-146.5 °C
CAS Common Chemistry
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 | 226.27 g/mol | CAS Common Chemistry |
| 226.27499999999998 g/mol | RDKit | |
| 226.099379688 g/mol | RDKit | |
| Canonical SMILES | OCC1(C=2C=CC=CC2C=3C=CC=CC31)CO | CAS Common Chemistry |
| InChI | InChI=1S/C15H14O2/c16-9-15(10-17)13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,16-17H,9-10H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RHBLISBUFROBBC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 145.5-146.5 °C | CAS Common Chemistry |
| Name | 9H-Fluorene-9,9-dimethanol | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 1.9377 | RDKit |
| Molar Refractivity | 66.82960000000004 | RDKit |
