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Acetic Acid, 2-Methoxy-, Hydrazide
CAS: 20605-41-8 | C3H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20605-41-8
Molecular Formula:
C3H8N2O2
Molecular Weight:
104.10900000000001 g/mol
Names and Synonyms:
Acetic Acid, 2-Methoxy-, Hydrazide
Acetic acid, 2-methoxy-, hydrazide
Acetic acid, methoxy-, hydrazide
Methoxyacetic acid hydrazide
2-Methoxyacetic acid hydrazide
Methoxyacetylhydrazine
Methoxyacetic hydrazide
Methoxyacetyl hydrazide
N-(2-Methoxyacetyl)hydrazide
Methoxyacetohydrazide
2-Methoxyacetohydrazide
Identifiers:
SMILES:
COCC(O)=NN
InChI:
InChI=1S/C3H8N2O2/c1-7-2-3(6)5-4/h2,4H2,1H3,(H,5,6)
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 104.11 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NN)COC | Legacy Database | |
| cas-inchi | InChI=1S/C3H8N2O2/c1-7-2-3(6)5-4/h2,4H2,1H3,(H,5,6) | Legacy Database | |
| cas-inchi-key | InChIKey=XEPXDMNZXBUSOI-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 58-59 °C | Legacy Database | |
| cas-name | Acetic acid, 2-methoxy-, hydrazide | Legacy Database | |
| LogP | -0.5369999999999999 | RDKit | |
| Molecular | Molecular Weight | 104.10900000000001 g/mol | RDKit |
| Exact | Exact Molecular Weight | 104.058577496 g/mol | RDKit |
| Heavy | Heavy Atom Count | 7 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 67.84 Ų | RDKit |
| Molar | Molar Refractivity | 26.127199999999995 | RDKit |
