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9-Fluorenone-1-Carboxylic Acid
CAS: 1573-92-8 | C14H8O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1573-92-8
Molecular Formula:
C14H8O3
Molecular Mass:
224.21 g/mol
Names and Synonyms:
9-Fluorenone-1-Carboxylic Acid
9H-Fluorene-1-carboxylic acid, 9-oxo-
Fluorene-1-carboxylic acid, 9-oxo-
9-Oxo-9H-fluorene-1-carboxylic acid
9-Fluorenone-1-carboxylic acid
Fluorenone-1-carboxylic acid
1-Carboxyfluorenone
9-Oxofluorene-1-carboxylic acid
9-keto-Fluorene-1-carboxylic acid
NSC 24049
1-Carboxy-9-fluorenone
Identifiers:
SMILES:
O=C(O)c1cccc2c1C(=O)c1ccccc1-2
InChI:
InChI=1S/C14H8O3/c15-13-10-5-2-1-4-8(10)9-6-3-7-11(12(9)13)14(16)17/h1-7H,(H,16,17)
Key Properties
Melting Point
192-193 °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 | 224.21 g/mol | CAS Common Chemistry |
| 224.21499999999997 g/mol | RDKit | |
| 224.047344116 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1=CC=CC=2C=3C=CC=CC3C(=O)C12 | CAS Common Chemistry |
| InChI | InChI=1S/C14H8O3/c15-13-10-5-2-1-4-8(10)9-6-3-7-11(12(9)13)14(16)17/h1-7H,(H,16,17) | CAS Common Chemistry |
| InChI Key | InChIKey=CBEFMGJHEKAMNI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 192-193 °C | CAS Common Chemistry |
| Name | 9-Fluorenone-1-carboxylic acid | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 54.37 Ų | RDKit |
| LogP | 2.5962000000000005 | RDKit |
| Molar Refractivity | 62.269800000000025 | RDKit |
