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Acetaldoxime
CAS: 107-29-9 | C2H5NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
107-29-9
Molecular Formula:
C2H5NO
Molecular Weight:
59.068000000000005 g/mol
Names and Synonyms:
Acetaldoxime
Common Name
NSC 4974
Synonym
Acetoaldoxime
Synonym
Ethanal oxime
Synonym
Ethylidenehydroxylamine
Synonym
Aldoxime
Synonym
Acetaldoxime
Synonym
Acetaldehyde, oxime
Synonym
Identifiers:
SMILES:
CC=NO
InChI:
InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 59.068000000000005 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 59.03711378 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 32.59 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.4663 | RDKit |
| molecular_mass | 59.07 g/mol | Legacy Database |
| density | 0.97 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Acetaldoxime None | Legacy Database |
| cas-boiling-point | 114.5 °C None | Legacy Database |
| cas-canonical-smile | ON=CC None | Legacy Database |
| cas-density | 0.9656 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=FZENGILVLUJGJX-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 47 °C None | Legacy Database |
| cas-name | Aldoxime None | Legacy Database |
| wikipedia-name | Acetaldoxime None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 15.9525 | RDKit |