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Fluorenol
CAS: 1689-64-1 | C13H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1689-64-1
Molecular Formula:
C13H10O
Molecular Mass:
182.22 g/mol
Names and Synonyms:
Fluorenol
9H-Fluoren-9-ol
Fluoren-9-ol
9-Hydroxyfluorene
9-Hydroxy-9H-fluorene
9-Fluorenyl alcohol
NSC 5320
Identifiers:
SMILES:
OC1c2ccccc2-c2ccccc21
InChI:
InChI=1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H
Key Properties
Melting Point
153.5 °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 | 182.22 g/mol | CAS Common Chemistry |
| 182.222 g/mol | RDKit | |
| 182.07316494 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fluorenol | CAS Common Chemistry |
| Canonical SMILES | OC1C=2C=CC=CC2C=3C=CC=CC31 | CAS Common Chemistry |
| InChI | InChI=1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H | CAS Common Chemistry |
| InChI Key | InChIKey=AFMVESZOYKHDBJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 153.5 °C | CAS Common Chemistry |
| Name | Fluoren-9-ol | CAS Common Chemistry |
| Fluorenol | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 2.7487000000000013 | RDKit |
| Molar Refractivity | 55.93980000000003 | RDKit |
