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N-(2-Methoxyphenyl)Acetamide
CAS: 93-26-5 | C9H11NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
93-26-5
Molecular Formula:
C9H11NO2
Molecular Mass:
165.19 g/mol
Names and Synonyms:
N-(2-Methoxyphenyl)Acetamide
Acetamide, N-(2-methoxyphenyl)-
o-Acetanisidide
N-(2-Methoxyphenyl)acetamide
o-Methoxyacetanilide
2′-Methoxyacetanilide
N-Acetyl-o-anisidine
2-(Acetylamino)anisole
N-Acetyl-2-methoxyaniline
2-Acetamidoanisole
NSC 4004
2-N-Acetylaminomethoxybenzene
Identifiers:
SMILES:
COc1ccccc1N=C(C)O
InChI:
InChI=1S/C9H11NO2/c1-7(11)10-8-5-3-4-6-9(8)12-2/h3-6H,1-2H3,(H,10,11)
Key Properties
Boiling Point
304 °C
CAS Common Chemistry
Melting Point
87.5 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 165.19 g/mol | CAS Common Chemistry |
| 165.19199999999998 g/mol | RDKit | |
| 165.078978592 g/mol | RDKit | |
| Boiling Point | 304 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(NC=1C=CC=CC1OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO2/c1-7(11)10-8-5-3-4-6-9(8)12-2/h3-6H,1-2H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=FGOFNVXHDGQVBG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 87.5 °C | CAS Common Chemistry |
| Name | N-(2-Methoxyphenyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 41.82 Ų | RDKit |
| LogP | 2.3031 | RDKit |
| Molar Refractivity | 48.391800000000025 | RDKit |
