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Molecule
Flurenol
CAS: 467-69-6 · C14H10O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 467-69-6
- Molecular Formula
- C14H10O3
- Molecular Mass
- 226.23 g/mol
Identifiers
CAS Registry Number
467-69-6
SMILES
O=C(O)C1(O)c2ccccc2-c2ccccc21
InChI Key
GXAMYUGOODKVRM-UHFFFAOYSA-N
InChI
InChI=1S/C14H10O3/c15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,17H,(H,15,16)
Names and Synonyms
- Flurenol Common Name
- 9H-Fluorene-9-carboxylic acid, 9-hydroxy- Synonym
- Fluorene-9-carboxylic acid, 9-hydroxy- Synonym
- 9-Hydroxy-9H-fluorene-9-carboxylic acid Synonym
- 9-Hydroxyfluorene-9-carboxylic acid Synonym
- Flurenol Synonym
- Flurecol Synonym
- 9-Carboxy-9-hydroxyfluorene Synonym
- 9-Hydroxy-9-carboxyfluorene Synonym
- NSC 97576 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 226.23 g/mol | CAS Common Chemistry |
| 226.231 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1(O)C=2C=CC=CC2C=3C=CC=CC31 | CAS Common Chemistry |
| InChI | InChI=1S/C14H10O3/c15-13(16)14(17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,17H,(H,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=GXAMYUGOODKVRM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 165 °C (decomp) | CAS Common Chemistry |
| Name | Flurenol | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 1.9875000000000003 | RDKit |
| 1.9875 | RDKit | |
| Molar Refractivity | 62.512600000000035 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0714 | RDKit |
| 0.07 | chempirical lib | |
| Exact Mass | 226.06299417999998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 226.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H10O3.
