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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
Names and Synonyms:
2-Hydroxyfluorenone
9H-Fluoren-9-one, 2-hydroxy-
Fluoren-9-one, 2-hydroxy-
2-Hydroxy-9H-fluoren-9-one
2-Hydroxyfluorenone
2-Hydroxyfluoren-9-one
NSC 22835
Identifiers:
SMILES:
O=C1c2ccccc2-c2ccc(O)cc21
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
Key Properties
Melting Point
205 °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 | 196.20 g/mol | CAS Common Chemistry |
| 196.20499999999998 g/mol | RDKit | |
| 196.052429496 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 | RDKit |
