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Flurenol
CAS: 467-69-6 | C14H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
467-69-6
Molecular Formula:
C14H10O3
Molecular Mass:
226.23 g/mol
Names and Synonyms:
Flurenol
9H-Fluorene-9-carboxylic acid, 9-hydroxy-
Fluorene-9-carboxylic acid, 9-hydroxy-
9-Hydroxy-9H-fluorene-9-carboxylic acid
9-Hydroxyfluorene-9-carboxylic acid
Flurenol
Flurecol
9-Carboxy-9-hydroxyfluorene
9-Hydroxy-9-carboxyfluorene
NSC 97576
Identifiers:
SMILES:
O=C(O)C1(O)c2ccccc2-c2ccccc21
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)
Key Properties
Melting Point
165 °C (decomp)
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 | 226.23 g/mol | CAS Common Chemistry |
| 226.231 g/mol | RDKit | |
| 226.06299417999998 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 |
| Molar Refractivity | 62.512600000000035 | RDKit |
