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Molecule
Acetic Acid, 2-Acetylhydrazide
CAS: 3148-73-0 · C4H8N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3148-73-0
- Molecular Formula
- C4H8N2O2
- Molecular Mass
- 116.12 g/mol
Identifiers
CAS Registry Number
3148-73-0
SMILES
CC(O)=NN=C(C)O
InChI Key
ZLHNYIHIHQEHJQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H8N2O2/c1-3(7)5-6-4(2)8/h1-2H3,(H,5,7)(H,6,8)
Names and Synonyms
- Acetic Acid, 2-Acetylhydrazide Systematic Name
- Acetic acid, 2-acetylhydrazide Synonym
- Hydrazine, 1,2-diacetyl- Synonym
- 1,2-Diacetylhydrazine Synonym
- N,N′-Diacetylhydrazine Synonym
- NSC 42939 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 116.12 g/mol | CAS Common Chemistry |
| 116.11999999999999 g/mol | RDKit | |
| Canonical SMILES | O=C(NNC(=O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H8N2O2/c1-3(7)5-6-4(2)8/h1-2H3,(H,5,7)(H,6,8) | CAS Common Chemistry |
| InChI Key | InChIKey=ZLHNYIHIHQEHJQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 138-139 °C | CAS Common Chemistry |
| Name | Acetic acid, 2-acetylhydrazide | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 0.8542000000000001 | RDKit |
| 0.8542 | RDKit | |
| Molar Refractivity | 31.475599999999993 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 116.058577496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 116.12 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8N2O2.
