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Acetohydroxamic Acid
CAS: 546-88-3 | C2H5NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
546-88-3
Molecular Formula:
C2H5NO2
Molecular Mass:
75.07 g/mol
Names and Synonyms:
Acetohydroxamic Acid
Acetamide, N-hydroxy-
Acetohydroxamic acid
AHA
Acetohydroximic acid
Acetic acid, oxime
Hydroxylamine, N-acetyl-
Acetylhydroxamic acid
Methylhydroxamic acid
N-Hydroxyacetamide
N-Acetylhydroxylamine
Acetylhydroxylamine
NSC 176136
NSC 408425
NSC 5073
AHA (urease inhibitor)
Identifiers:
SMILES:
CC(O)=NO
InChI:
InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)
Key Properties
Melting Point
89-92 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 75.07 g/mol | CAS Common Chemistry |
| 75.067 g/mol | RDKit | |
| 75.0320284 g/mol | RDKit | |
| Canonical SMILES | O=C(NO)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4) | CAS Common Chemistry |
| InChI Key | InChIKey=RRUDCFGSUDOHDG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 89-92 °C | CAS Common Chemistry |
| Name | Acetohydroxamic acid | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| LogP | 0.352 | RDKit |
| Molar Refractivity | 17.524300000000004 | RDKit |
