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Molecule
(4-Methoxyphenyl)Acetamide
CAS: 6343-93-7 · C9H11NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6343-93-7
- Molecular Formula
- C9H11NO2
- Molecular Mass
- 165.19 g/mol
Identifiers
CAS Registry Number
6343-93-7
SMILES
COc1ccc(CC(=N)O)cc1
InChI Key
OLKQIWCQICCYQS-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
Names and Synonyms
- (4-Methoxyphenyl)Acetamide Common Name
- Benzeneacetamide, 4-methoxy- Synonym
- Acetamide, 2-(p-methoxyphenyl)- Synonym
- 4-Methoxybenzeneacetamide Synonym
- (p-Methoxyphenyl)acetamide Synonym
- (4-Methoxyphenyl)acetamide Synonym
- 2-(4-Methoxyphenyl)acetamide Synonym
- NSC 49779 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.19 g/mol | CAS Common Chemistry |
| 165.192 g/mol | RDKit | |
| Canonical SMILES | O=C(N)CC1=CC=C(OC)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO2/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=OLKQIWCQICCYQS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 188-189 °C | CAS Common Chemistry |
| Name | (4-Methoxyphenyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 53.31 Ų | RDKit |
| LogP | 1.77297 | RDKit |
| 1.773 | RDKit | |
| Molar Refractivity | 47.053500000000014 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...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
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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.
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MW = 165.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H11NO2.
