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Methyl 2-Hydroxy-2-Methoxyacetate
CAS: 19757-97-2 | C4H8O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19757-97-2
Molecular Formula:
C4H8O4
Molecular Weight:
120.10399999999998 g/mol
Names and Synonyms:
Methyl 2-Hydroxy-2-Methoxyacetate
Glycolic acid methyl ester-hemiacetal
GMHA
α-Hydroxy-α-methoxyacetic acid
2-Hydroxy-2-methoxyacetic acid methyl ester
Methyl 2-hydroxy-2-methoxyacetate
Methyl glyoxylate methyl hemiacetal
Glyoxylic acid, methyl ester, methyl hemiacetal
Acetic acid, hydroxymethoxy-, methyl ester
Glycolic acid, methoxy-, methyl ester
Acetic acid, 2-hydroxy-2-methoxy-, methyl ester
Identifiers:
SMILES:
COC(=O)C(O)OC
InChI:
InChI=1S/C4H8O4/c1-7-3(5)4(6)8-2/h3,5H,1-2H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 120.10399999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 120.04225873600001 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 55.760000000000005 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.8758000000000001 | RDKit |
| molecular_mass | 120.10 g/mol | Legacy Database |
| cas-boiling-point | 117-120 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | O=C(OC)C(O)OC None | Legacy Database |
| cas-inchi | InChI=1S/C4H8O4/c1-7-3(5)4(6)8-2/h3,5H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=OVJJVYHDJVQFSF-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Methyl 2-hydroxy-2-methoxyacetate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.03179999999999 | RDKit |
