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Acetanisole
CAS: 100-06-1 | C9H10O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
100-06-1
Molecular Formula:
C9H10O2
Molecular Mass:
150.18 g/mol
Names and Synonyms:
Acetanisole
Ethanone, 1-(4-methoxyphenyl)-
Acetophenone, 4′-methoxy-
1-(4-Methoxyphenyl)ethanone
p-Acetylanisole
Linarodin
Novatone
Vananote
4′-Methoxyacetophenone
p-Methoxyphenyl methyl ketone
p-Methoxyacetophenone
4-Methoxyphenyl methyl ketone
4-Acetylanisole
Methyl p-methoxyphenyl ketone
1-Acetyl-4-methoxybenzene
p-Anisyl methyl ketone
para-Methoxyacetophenone
Methyl 4-methoxyphenyl ketone
Acetoanisole
p-Methoxy(acetyl)benzene
NSC 209523
NSC 5601
4-Methoxyhypnone
1-(4-Methoxyphenyl)ethan-1-one
4-Methoxyphenylethanone
Identifiers:
SMILES:
COc1ccc(C(C)=O)cc1
InChI:
InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
Key Properties
Boiling Point
258 °C
CAS Common Chemistry
Melting Point
38.5 °C
CAS Common Chemistry
Density
1.08 g/cm³
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 |
| 150.177 g/mol | RDKit | |
| 150.06807956 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.0818 g/cm3 @ Temp: 41 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Acetanisole | CAS Common Chemistry |
| Boiling Point | 258 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C1=CC=C(OC)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NTPLXRHDUXRPNE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 38.5 °C | CAS Common Chemistry |
| Name | 4′-Methoxyacetophenone | CAS Common Chemistry |
| Acetanisole | 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 |
