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Molecule
N-(2-Hydroxy-5-Methylphenyl)Acetamide
CAS: 6375-17-3 · C9H11NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6375-17-3
- Molecular Formula
- C9H11NO2
- Molecular Mass
- 165.19 g/mol
Identifiers
CAS Registry Number
6375-17-3
SMILES
CC(O)=Nc1cc(C)ccc1O
InChI Key
DSEQJUPGRWESKP-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-6-3-4-9(12)8(5-6)10-7(2)11/h3-5,12H,1-2H3,(H,10,11)
Names and Synonyms
- N-(2-Hydroxy-5-Methylphenyl)Acetamide Common Name
- Acetamide, N-(2-hydroxy-5-methylphenyl)- Synonym
- m-Acetotoluidide, 6′-hydroxy- Synonym
- N-(2-Hydroxy-5-methylphenyl)acetamide Synonym
- 2′-Hydroxy-5′-methylacetanilide Synonym
- 4-Methyl-6-acetamidophenol Synonym
- NSC 158415 Synonym
- 2-Acetylamino-p-cresol Synonym
- 2-Acetamido-4-methylphenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.19 g/mol | CAS Common Chemistry |
| 165.19199999999998 g/mol | RDKit | |
| 165.192 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC(=CC=C1O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO2/c1-6-3-4-9(12)8(5-6)10-7(2)11/h3-5,12H,1-2H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=DSEQJUPGRWESKP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 189 °C | CAS Common Chemistry |
| Name | N-(2-Hydroxy-5-methylphenyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| 52.82 Ų | RDKit | |
| LogP | 2.308520000000001 | RDKit |
| 2.3085 | RDKit | |
| Molar Refractivity | 48.24160000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 165.078978592 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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.
External Resources
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MW = 165.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H11NO2.
