Back to Search
Benzeneacetic Acid, 4-Methoxy-, Ethyl Ester
CAS: 14062-18-1 | C11H14O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14062-18-1
Molecular Formula:
C11H14O3
Molecular Mass:
194.23 g/mol
Names and Synonyms:
Benzeneacetic Acid, 4-Methoxy-, Ethyl Ester
Benzeneacetic acid, 4-methoxy-, ethyl ester
Acetic acid, (p-methoxyphenyl)-, ethyl ester
Ethyl p-methoxyphenylacetate
p-Methoxyphenylacetic acid ethyl ester
Ethyl 2-(p-anisyl)acetate
Ethyl (4-methoxyphenyl)acetate
Ethyl 4-methoxybenzeneacetate
Ethyl 2-(4-methoxyphenyl)acetate
2-(p-Methoxyphenyl)acetic acid ethyl ester
NSC 24760
(4-Methoxyphenyl)acetic acid ethyl ester
Identifiers:
SMILES:
CCOC(=O)Cc1ccc(OC)cc1
InChI:
InChI=1S/C11H14O3/c1-3-14-11(12)8-9-4-6-10(13-2)7-5-9/h4-7H,3,8H2,1-2H3
Key Properties
Boiling Point
138-140 °C
CAS Common Chemistry
Melting Point
85 °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 | 194.23 g/mol | CAS Common Chemistry |
| 194.094294308 g/mol | RDKit | |
| Boiling Point | 138-140 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC)CC1=CC=C(OC)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H14O3/c1-3-14-11(12)8-9-4-6-10(13-2)7-5-9/h4-7H,3,8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DOCCDOCIYYDLGJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 85 °C | CAS Common Chemistry |
| Name | Benzeneacetic acid, 4-methoxy-, ethyl ester | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 1.8008000000000002 | RDKit |
| Molar Refractivity | 53.33100000000003 | RDKit |
