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[2-(2-Methoxyethoxy)Ethoxy]Acetic Acid
CAS: 16024-58-1 | C7H14O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
16024-58-1
Molecular Formula:
C7H14O5
Molecular Mass:
178.18 g/mol
Names and Synonyms:
[2-(2-Methoxyethoxy)Ethoxy]Acetic Acid
Acetic acid, 2-[2-(2-methoxyethoxy)ethoxy]-
Acetic acid, [2-(2-methoxyethoxy)ethoxy]-
2-[2-(2-Methoxyethoxy)ethoxy]acetic acid
3,6,9-Trioxadecanoic acid
[2-(2-Methoxyethoxy)ethoxy]acetic acid
8-Methoxy-3,6-dioxaoctanoic acid
Identifiers:
SMILES:
COCCOCCOCC(=O)O
InChI:
InChI=1S/C7H14O5/c1-10-2-3-11-4-5-12-6-7(8)9/h2-6H2,1H3,(H,8,9)
Key Properties
Boiling Point
155-156 °C @ Press: 4 Torr
CAS Common Chemistry
Density
1.15 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 | 178.18 g/mol | CAS Common Chemistry |
| 178.184 g/mol | RDKit | |
| 178.084123548 g/mol | RDKit | |
| Density | 1.15 g/cm³ | CAS Common Chemistry |
| 1.1492 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 155-156 °C @ Press: 4 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(O)COCCOCCOC | CAS Common Chemistry |
| InChI | InChI=1S/C7H14O5/c1-10-2-3-11-4-5-12-6-7(8)9/h2-6H2,1H3,(H,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=YHBWXWLDOKIVCJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | [2-(2-Methoxyethoxy)ethoxy]acetic acid | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 64.99000000000001 Ų | RDKit |
| LogP | -0.24939999999999968 | RDKit |
| Molar Refractivity | 41.149800000000006 | RDKit |
