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Molecule
Lactamide
CAS: 2043-43-8 · C3H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2043-43-8
- Molecular Formula
- C3H7NO2
- Molecular Mass
- 89.09 g/mol
Identifiers
CAS Registry Number
2043-43-8
SMILES
CC(O)C(=N)O
InChI Key
SXQFCVDSOLSHOQ-UHFFFAOYSA-N
InChI
InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)
Names and Synonyms
- Lactamide Synonym
- Propanamide, 2-hydroxy- Synonym
- Lactamide Synonym
- 2-Hydroxypropanamide Synonym
- Lactic amide Synonym
- α-Hydroxypropionamide Synonym
- 2-Hydroxypropionamide Synonym
- Lactic acid amide Synonym
- (±)-Lactamide Synonym
- DL-Lactamide Synonym
- NSC 61454 Synonym
- NSC 9903 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 89.09 g/mol | CAS Common Chemistry |
| 89.094 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lactamide | CAS Common Chemistry |
| Canonical SMILES | O=C(N)C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6) | CAS Common Chemistry |
| InChI Key | InChIKey=SXQFCVDSOLSHOQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 42.8 °C | CAS Common Chemistry |
| Name | Lactamide | CAS Common Chemistry |
| Heavy Atom Count | 6 | 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 | -0.09753000000000012 | RDKit |
| -0.0975 | RDKit | |
| Molar Refractivity | 22.0363 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 89.047678464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 89.09 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H7NO2.
