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Molecule
Fluorenone-4-Carboxylic Acid
CAS: 6223-83-2 · C14H8O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6223-83-2
- Molecular Formula
- C14H8O3
- Molecular Mass
- 224.21 g/mol
Identifiers
CAS Registry Number
6223-83-2
SMILES
O=C(O)c1cccc2c1-c1ccccc1C2=O
InChI Key
AFQYQSWTVCNJQT-UHFFFAOYSA-N
InChI
InChI=1S/C14H8O3/c15-13-9-5-2-1-4-8(9)12-10(13)6-3-7-11(12)14(16)17/h1-7H,(H,16,17)
Names and Synonyms
- Fluorenone-4-Carboxylic Acid Synonym
- 9H-Fluorene-4-carboxylic acid, 9-oxo- Synonym
- Fluorene-4-carboxylic acid, 9-oxo- Synonym
- 9-Oxo-9H-fluorene-4-carboxylic acid Synonym
- Fluorenone-5-carboxylic acid Synonym
- 9-Oxofluorene-4-carboxylic acid Synonym
- 9-Fluorenone-4-carboxylic acid Synonym
- Fluorenone-4-carboxylic acid Synonym
- 4-Carboxy-9-fluorenone Synonym
- NSC 27908 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 224.21 g/mol | CAS Common Chemistry |
| 224.21499999999997 g/mol | RDKit | |
| 224.215 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1=CC=CC=2C(=O)C=3C=CC=CC3C12 | CAS Common Chemistry |
| InChI | InChI=1S/C14H8O3/c15-13-9-5-2-1-4-8(9)12-10(13)6-3-7-11(12)14(16)17/h1-7H,(H,16,17) | CAS Common Chemistry |
| InChI Key | InChIKey=AFQYQSWTVCNJQT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 218-225 °C | CAS Common Chemistry |
| Name | Fluorenone-4-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 |
| 2.5962 | RDKit | |
| Molar Refractivity | 62.26980000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 224.047344116 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 224.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H8O3.
