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Molecule
4-Hydroxycarbazole
CAS: 52602-39-8 · C12H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 52602-39-8
- Molecular Formula
- C12H9NO
- Molecular Mass
- 183.21 g/mol
Identifiers
CAS Registry Number
52602-39-8
SMILES
Oc1cccc2[nH]c3ccccc3c12
InChI Key
UEOHATPGKDSULR-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h1-7,13-14H
Names and Synonyms
- 4-Hydroxycarbazole Synonym
- 9H-Carbazol-4-ol Synonym
- 4-Carbazolol Synonym
- 4-Hydroxycarbazole Synonym
- SKF 106023 Synonym
- 4-Hydroxy-9H-carbazole Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 183.21 g/mol | CAS Common Chemistry |
| 184.218 g/mol | chempirical lib | |
| Canonical SMILES | OC1=CC=CC=2NC=3C=CC=CC3C12 | CAS Common Chemistry |
| InChI | InChI=1S/C12H9NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10/h1-7,13-14H | CAS Common Chemistry |
| InChI Key | InChIKey=UEOHATPGKDSULR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 169-170 °C | CAS Common Chemistry |
| Name | 4-Hydroxycarbazole | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 36.019999999999996 Ų | RDKit |
| 36.02 Ų | RDKit | |
| LogP | 3.026700000000001 | RDKit |
| 3.0267 | RDKit | |
| Molar Refractivity | 57.46950000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 183.068413908 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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 = 183.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H9NO.
