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Molecule
2-Hydroxyacetamide
CAS: 598-42-5 · C2H5NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 598-42-5
- Molecular Formula
- C2H5NO2
- Molecular Mass
- 75.07 g/mol
Identifiers
CAS Registry Number
598-42-5
SMILES
N=C(O)CO
InChI Key
TZGPACAKMCUCKX-UHFFFAOYSA-N
InChI
InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)
Names and Synonyms
- 2-Hydroxyacetamide Synonym
- Acetamide, 2-hydroxy- Synonym
- Glycolamide Synonym
- 2-Hydroxyacetimidic acid Synonym
- Glycolic acid amide Synonym
- Glycolic amide Synonym
- 2-Hydroxyacetamide Synonym
- NSC 97323 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 75.07 g/mol | CAS Common Chemistry |
| 75.067 g/mol | RDKit | |
| Density | 1.42 g/cm³ | CAS Common Chemistry |
| 1.415 g/cm3 @ -5 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(N)CO | CAS Common Chemistry |
| InChI | InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5) | CAS Common Chemistry |
| InChI Key | InChIKey=TZGPACAKMCUCKX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120 °C | CAS Common Chemistry |
| Name | 2-Hydroxyacetamide | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 64.31 Ų | RDKit |
| LogP | -0.48602999999999996 | RDKit |
| -0.486 | RDKit | |
| Molar Refractivity | 17.4413 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 75.0320284 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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40
20
0 ppm
| 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 = 75.07 g/mol; density = 1.420 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H5NO2.
