Back to Search
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 Mass:
59.07 g/mol
Names and Synonyms:
Acetaldoxime
Acetaldehyde, oxime
Acetaldoxime
Aldoxime
Ethylidenehydroxylamine
Ethanal oxime
Acetoaldoxime
NSC 4974
Identifiers:
SMILES:
CC=NO
InChI:
InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3
Key Properties
Boiling Point
114.5 °C
CAS Common Chemistry
Melting Point
47 °C
CAS Common Chemistry
Density
0.97 g/cm³
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 | 59.07 g/mol | CAS Common Chemistry |
| 59.068000000000005 g/mol | RDKit | |
| 59.03711378 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9656 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Acetaldoxime | CAS Common Chemistry |
| Boiling Point | 114.5 °C | CAS Common Chemistry |
| Canonical SMILES | ON=CC | CAS Common Chemistry |
| InChI | InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FZENGILVLUJGJX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 47 °C | CAS Common Chemistry |
| Name | Aldoxime | CAS Common Chemistry |
| Acetaldoxime | CAS Common Chemistry | |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 0.4663 | RDKit |
| Molar Refractivity | 15.9525 | RDKit |
