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1-(2-Methoxyphenyl)-2-Propanone
CAS: 5211-62-1 | C10H12O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
5211-62-1
Molecular Formula:
C10H12O2
Molecular Mass:
164.20 g/mol
Names and Synonyms:
1-(2-Methoxyphenyl)-2-Propanone
2-Propanone, 1-(o-methoxyphenyl)-
2-Propanone, 1-(2-methoxyphenyl)-
2-Propanone, (o-methoxyphenyl)-
1-(2-Methoxyphenyl)-2-propanone
1-(o-Methoxyphenyl)-2-propanone
o-Methoxyphenyl-2-propanone
(2-Methoxyphenyl)acetone
1-(2-Anisyl)-2-propanone
2′-Methoxyphenyl-2-propanone
(o-Methoxyphenyl)acetone
Identifiers:
SMILES:
COc1ccccc1CC(C)=O
InChI:
InChI=1S/C10H12O2/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6H,7H2,1-2H3
Key Properties
Boiling Point
127-130 °C @ Press: 10 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 | 164.20 g/mol | CAS Common Chemistry |
| 164.20399999999998 g/mol | RDKit | |
| 164.083729624 g/mol | RDKit | |
| Boiling Point | 127-130 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(C)CC=1C=CC=CC1OC | CAS Common Chemistry |
| InChI | InChI=1S/C10H12O2/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6H,7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GMBFNZCPZFVKAT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-(2-Methoxyphenyl)-2-propanone | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 1.8267 | RDKit |
| Molar Refractivity | 47.379000000000026 | RDKit |
