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Molecule
Methyl 2-Hydroxy-2-Methoxyacetate
CAS: 19757-97-2 · C4H8O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19757-97-2
- Molecular Formula
- C4H8O4
- Molecular Mass
- 120.10 g/mol
Identifiers
CAS Registry Number
19757-97-2
SMILES
COC(=O)C(O)OC
InChI Key
OVJJVYHDJVQFSF-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O4/c1-7-3(5)4(6)8-2/h3,5H,1-2H3
Names and Synonyms
- Methyl 2-Hydroxy-2-Methoxyacetate Common Name
- Acetic acid, 2-hydroxy-2-methoxy-, methyl ester Synonym
- Glycolic acid, methoxy-, methyl ester Synonym
- Acetic acid, hydroxymethoxy-, methyl ester Synonym
- Glyoxylic acid, methyl ester, methyl hemiacetal Synonym
- Methyl glyoxylate methyl hemiacetal Synonym
- Methyl 2-hydroxy-2-methoxyacetate Synonym
- 2-Hydroxy-2-methoxyacetic acid methyl ester Synonym
- α-Hydroxy-α-methoxyacetic acid Synonym
- GMHA Synonym
- Glycolic acid methyl ester-hemiacetal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 120.10 g/mol | CAS Common Chemistry |
| 120.10399999999998 g/mol | RDKit | |
| 120.104 g/mol | RDKit | |
| 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 |
| 55.76 Ų | RDKit | |
| LogP | -0.8758000000000001 | RDKit |
| -0.8758 | RDKit | |
| Molar Refractivity | 25.03179999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 120.04225873600001 g/mol | RDKit |
| Boiling Point | 117-120 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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120
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| Shift (ppm) | DEPT | Assignment |
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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 = 120.10 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8O4.
