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Molecule
Polyethylene Glycol Bis(Carboxymethyl) Ether
CAS: 39927-08-7 · C6H10O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 39927-08-7
- Molecular Formula
- C6H10O6
- Molecular Mass
- 178.14 g/mol
Identifiers
CAS Registry Number
39927-08-7
SMILES
O=C(O)COCCOCC(=O)O
InChI Key
CQWXKASOCUAEOW-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O6/c7-5(8)3-11-1-2-12-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
Names and Synonyms
- Polyethylene Glycol Bis(Carboxymethyl) Ether Synonym
- Poly(oxy-1,2-ethanediyl), α-(carboxymethyl)-ω-(carboxymethoxy)- Synonym
- Polyethylene glycol bis(carboxymethyl) ether Synonym
- Carboxymethylpolyethylene glycol Synonym
- PEO Acid 1000 Synonym
- PEO Acid 3000 Synonym
- Poly(ethylene glycol)bis-acetic acid Synonym
- Sunbright DE 030AC Synonym
- Polyethylene glycol diacid Synonym
- PEG 20K20 Synonym
- PEG 20K Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 178.14 g/mol | CAS Common Chemistry |
| 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 |
| 93.06 Ų | RDKit | |
| LogP | -0.8111999999999999 | RDKit |
| -0.8112 | RDKit | |
| Molar Refractivity | 36.9096 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 178.04773804 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 178.14 g/mol. Edit any field — others recompute live.
Related
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Butanedioic acid, 2,3-dihydroxy- (2R,3R)-, 1,4-dimethyl ester
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