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Polyethylene Glycol Bis(Carboxymethyl) Ether
CAS: 39927-08-7 | C6H10O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
39927-08-7
Molecular Formula:
C6H10O6
Molecular Mass:
178.14 g/mol
Names and Synonyms:
Polyethylene Glycol Bis(Carboxymethyl) Ether
Poly(oxy-1,2-ethanediyl), α-(carboxymethyl)-ω-(carboxymethoxy)-
Polyethylene glycol bis(carboxymethyl) ether
Carboxymethylpolyethylene glycol
PEO Acid 1000
PEO Acid 3000
Poly(ethylene glycol)bis-acetic acid
Sunbright DE 030AC
Polyethylene glycol diacid
PEG 20K20
PEG 20K
Identifiers:
SMILES:
O=C(O)COCCOCC(=O)O
InChI:
InChI=1S/C6H10O6/c7-5(8)3-11-1-2-12-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
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 | 178.14 g/mol | CAS Common Chemistry |
| 178.04773804 g/mol | RDKit | |
| Canonical SMILES | O=C(O)COCCOCC(=O)O | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O6/c7-5(8)3-11-1-2-12-4-6(9)10/h1-4H2,(H,7,8)(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=CQWXKASOCUAEOW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Polyethylene glycol bis(carboxymethyl) ether | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 93.06000000000002 Ų | RDKit |
| LogP | -0.8111999999999999 | RDKit |
| Molar Refractivity | 36.9096 | RDKit |
