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Molecule
2-Hydroxyfluorenone
CAS: 6949-73-1 · C13H8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 6949-73-1
- Molecular Formula
- C13H8O2
- Molecular Mass
- 196.20 g/mol
Identifiers
CAS Registry Number
6949-73-1
SMILES
O=C1c2ccccc2-c2ccc(O)cc21
InChI Key
GXUBPHMYNSICJC-UHFFFAOYSA-N
InChI
InChI=1S/C13H8O2/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7,14H
Names and Synonyms
- 2-Hydroxyfluorenone Systematic Name
- 9H-Fluoren-9-one, 2-hydroxy- Synonym
- Fluoren-9-one, 2-hydroxy- Synonym
- 2-Hydroxy-9H-fluoren-9-one Synonym
- 2-Hydroxyfluorenone Synonym
- 2-Hydroxyfluoren-9-one Synonym
- NSC 22835 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 196.20 g/mol | CAS Common Chemistry |
| 196.20499999999998 g/mol | RDKit | |
| 196.205 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2C=3C=CC(O)=CC13 | CAS Common Chemistry |
| InChI | InChI=1S/C13H8O2/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7,14H | CAS Common Chemistry |
| InChI Key | InChIKey=GXUBPHMYNSICJC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 205 °C | CAS Common Chemistry |
| Name | 2-Hydroxyfluorenone | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 2.6036 | RDKit |
| Molar Refractivity | 56.97530000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 196.052429496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
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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 = 196.20 g/mol. Edit any field — others recompute live.
