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Molecule
Acetic Acid, 2-Methoxy-, Hydrazide
CAS: 20605-41-8 · C3H8N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 20605-41-8
- Molecular Formula
- C3H8N2O2
- Molecular Mass
- 104.11 g/mol
Identifiers
CAS Registry Number
20605-41-8
SMILES
COCC(O)=NN
InChI Key
XEPXDMNZXBUSOI-UHFFFAOYSA-N
InChI
InChI=1S/C3H8N2O2/c1-7-2-3(6)5-4/h2,4H2,1H3,(H,5,6)
Names and Synonyms
- Acetic Acid, 2-Methoxy-, Hydrazide Synonym
- Acetic acid, 2-methoxy-, hydrazide Synonym
- Acetic acid, methoxy-, hydrazide Synonym
- Methoxyacetic acid hydrazide Synonym
- 2-Methoxyacetic acid hydrazide Synonym
- Methoxyacetylhydrazine Synonym
- Methoxyacetic hydrazide Synonym
- Methoxyacetyl hydrazide Synonym
- N-(2-Methoxyacetyl)hydrazide Synonym
- Methoxyacetohydrazide Synonym
- 2-Methoxyacetohydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 104.11 g/mol | CAS Common Chemistry |
| 104.10900000000001 g/mol | RDKit | |
| 104.109 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)COC | CAS Common Chemistry |
| InChI | InChI=1S/C3H8N2O2/c1-7-2-3(6)5-4/h2,4H2,1H3,(H,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=XEPXDMNZXBUSOI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 58-59 °C | CAS Common Chemistry |
| Name | Acetic acid, 2-methoxy-, hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 67.84 Ų | RDKit |
| LogP | -0.5369999999999999 | RDKit |
| -0.537 | RDKit | |
| Molar Refractivity | 26.127199999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 104.058577496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 104.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H8N2O2.
