Back to Search
2′-Methoxyacetophenone
CAS: 579-74-8 | C9H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
579-74-8
Molecular Formula:
C9H10O2
Molecular Mass:
150.18 g/mol
Names and Synonyms:
2′-Methoxyacetophenone
Ethanone, 1-(2-methoxyphenyl)-
Acetophenone, 2′-methoxy-
Acetophenone, o-methoxy-
1-(2-Methoxyphenyl)ethanone
o-Methoxyacetophenone
2′-Methoxyacetophenone
o-Acetylanisole
Methyl o-methoxyphenyl ketone
Methyl 2-methoxyphenyl ketone
2-Methoxyphenyl methyl ketone
2-Acetylanisole
NSC 23387
NSC 26912
2-Methoxy-1-acetylbenzene
1-(2-Methoxyphenyl)ethan-1-one
Identifiers:
SMILES:
COc1ccccc1C(C)=O
InChI:
InChI=1S/C9H10O2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H,1-2H3
Key Properties
Boiling Point
100-110 °C @ Press: 6 Torr
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 | 150.18 g/mol | CAS Common Chemistry |
| 150.17699999999996 g/mol | RDKit | |
| 150.06807956 g/mol | RDKit | |
| Boiling Point | 100-110 °C @ Press: 6 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DWPLEOPKBWNPQV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2′-Methoxyacetophenone | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 1.8978 | RDKit |
| Molar Refractivity | 42.99850000000002 | RDKit |
