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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 Weight:
75.067 g/mol
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
Identifiers:
SMILES:
N=C(O)CO
InChI:
InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)
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 | 75.067 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 75.0320284 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 64.31 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.48602999999999996 | RDKit |
| molecular_mass | 75.07 g/mol | Legacy Database |
| density | 1.42 g/cm³ | Legacy Database |
| cas-canonical-smile | O=C(N)CO None | Legacy Database |
| cas-density | 1.415 g/cm3 @ Temp: -5 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5) None | Legacy Database |
| cas-inchi-key | InChIKey=TZGPACAKMCUCKX-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 120 °C None | Legacy Database |
| cas-name | 2-Hydroxyacetamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 17.4413 | RDKit |