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Molecule
1H-Indazol-5-Ol
CAS: 15579-15-4 · C7H6N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15579-15-4
- Molecular Formula
- C7H6N2O
- Molecular Mass
- 134.14 g/mol
Identifiers
CAS Registry Number
15579-15-4
SMILES
Oc1ccc2[nH]ncc2c1
InChI Key
ZHDXWEPRYNHNDC-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O/c10-6-1-2-7-5(3-6)4-8-9-7/h1-4,10H,(H,8,9)
Names and Synonyms
- 1H-Indazol-5-Ol Systematic Name
- 1H-Indazol-5-ol Synonym
- 5-Indazolol Synonym
- 5-Hydroxyindazole Synonym
- 5-Hydroxy-1H-indazole Synonym
- NSC 520104 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.14 g/mol | CAS Common Chemistry |
| 134.138 g/mol | RDKit | |
| 135.146 g/mol | chempirical lib | |
| Canonical SMILES | OC=1C=CC=2NN=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H6N2O/c10-6-1-2-7-5(3-6)4-8-9-7/h1-4,10H,(H,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=ZHDXWEPRYNHNDC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 184 °C | CAS Common Chemistry |
| Name | 1H-Indazol-5-ol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 48.91 Ų | RDKit |
| 44.59 Ų | chempirical lib | |
| LogP | 1.2685 | RDKit |
| Molar Refractivity | 37.758500000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 134.048012812 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 = 134.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H6N2O.
