Back to Search
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 Mass:
120.10 g/mol
Names and Synonyms:
Methyl 2-Hydroxy-2-Methoxyacetate
Acetic acid, 2-hydroxy-2-methoxy-, methyl ester
Glycolic acid, methoxy-, methyl ester
Acetic acid, hydroxymethoxy-, methyl ester
Glyoxylic acid, methyl ester, methyl hemiacetal
Methyl glyoxylate methyl hemiacetal
Methyl 2-hydroxy-2-methoxyacetate
2-Hydroxy-2-methoxyacetic acid methyl ester
α-Hydroxy-α-methoxyacetic acid
GMHA
Glycolic acid methyl ester-hemiacetal
Identifiers:
SMILES:
COC(=O)C(O)OC
InChI:
InChI=1S/C4H8O4/c1-7-3(5)4(6)8-2/h3,5H,1-2H3
Key Properties
Boiling Point
117-120 °C @ Press: 760 Torr
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 | 120.10 g/mol | CAS Common Chemistry |
| 120.10399999999998 g/mol | RDKit | |
| 120.04225873600001 g/mol | RDKit | |
| Boiling Point | 117-120 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OC)C(O)OC | CAS Common Chemistry |
| InChI | InChI=1S/C4H8O4/c1-7-3(5)4(6)8-2/h3,5H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OVJJVYHDJVQFSF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Methyl 2-hydroxy-2-methoxyacetate | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 55.760000000000005 Ų | RDKit |
| LogP | -0.8758000000000001 | RDKit |
| Molar Refractivity | 25.03179999999999 | RDKit |
