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2-Hydroxy-4-Methylbenzamide
CAS: 49667-22-3 | C8H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
49667-22-3
Molecular Formula:
C8H9NO2
Molecular Mass:
151.17 g/mol
Names and Synonyms:
2-Hydroxy-4-Methylbenzamide
Benzamide, 2-hydroxy-4-methyl-
2-Hydroxy-4-methylbenzamide
4-Methylsalicylamide
Identifiers:
SMILES:
Cc1ccc(C(=N)O)c(O)c1
InChI:
InChI=1S/C8H9NO2/c1-5-2-3-6(8(9)11)7(10)4-5/h2-4,10H,1H3,(H2,9,11)
Key Properties
Melting Point
176-177 °C @ Solvent: Diethyl ether
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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2
1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 | 151.17 g/mol | CAS Common Chemistry |
| 151.16500000000002 g/mol | RDKit | |
| 151.063328528 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C1=CC=C(C=C1O)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H9NO2/c1-5-2-3-6(8(9)11)7(10)4-5/h2-4,10H,1H3,(H2,9,11) | CAS Common Chemistry |
| InChI Key | InChIKey=OLEJYVBTZPUQDX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 176-177 °C @ Solvent: Diethyl ether | CAS Common Chemistry |
| Name | 2-Hydroxy-4-methylbenzamide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 64.31 Ų | RDKit |
| LogP | 1.58399 | RDKit |
| Molar Refractivity | 42.30130000000001 | RDKit |
