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Molecule
Fluorenone-2-Carboxylic Acid
CAS: 784-50-9 · C14H8O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 784-50-9
- Molecular Formula
- C14H8O3
- Molecular Mass
- 224.21 g/mol
Identifiers
CAS Registry Number
784-50-9
SMILES
O=C(O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChI Key
BJCTXUUKONLPPK-UHFFFAOYSA-N
InChI
InChI=1S/C14H8O3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H,(H,16,17)
Names and Synonyms
- Fluorenone-2-Carboxylic Acid Common Name
- 9H-Fluorene-2-carboxylic acid, 9-oxo- Synonym
- Fluorene-2-carboxylic acid, 9-oxo- Synonym
- 9-Oxo-9H-fluorene-2-carboxylic acid Synonym
- 9-Fluorenone-2-carboxylic acid Synonym
- Fluorenone-2-carboxylic acid Synonym
- 9-Oxofluorene-2-carboxylic acid Synonym
- NSC 113321 Synonym
- NSC 81258 Synonym
- 2-Carboxyfluoren-9-one 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)C=1C=CC=2C=3C=CC=CC3C(=O)C2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C14H8O3/c15-13-11-4-2-1-3-9(11)10-6-5-8(14(16)17)7-12(10)13/h1-7H,(H,16,17) | CAS Common Chemistry |
| InChI Key | InChIKey=BJCTXUUKONLPPK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 341 °C | CAS Common Chemistry |
| Name | Fluorenone-2-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 | 62.269800000000025 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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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.
