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Molecule
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
Identifiers
CAS Registry Number
1689-64-1
SMILES
OC1c2ccccc2-c2ccccc21
InChI Key
AFMVESZOYKHDBJ-UHFFFAOYSA-N
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
Names and Synonyms
- Fluorenol Common Name
- 9H-Fluoren-9-ol Synonym
- Fluoren-9-ol Synonym
- 9-Hydroxyfluorene Synonym
- 9-Hydroxy-9H-fluorene Synonym
- 9-Fluorenyl alcohol Synonym
- NSC 5320 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.22 g/mol | CAS Common Chemistry |
| 182.222 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 |
| 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 |
| 2.7487 | RDKit | |
| Molar Refractivity | 55.93980000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 182.07316494 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 182.22 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H10O.
