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Molecule
Acetaldoxime
CAS: 107-29-9 · C2H5NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 107-29-9
- Molecular Formula
- C2H5NO
- Molecular Mass
- 59.07 g/mol
Identifiers
CAS Registry Number
107-29-9
SMILES
CC=NO
InChI Key
FZENGILVLUJGJX-UHFFFAOYSA-N
InChI
InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3
Names and Synonyms
- Acetaldoxime Common Name
- Acetaldehyde, oxime Synonym
- Acetaldoxime Synonym
- Aldoxime Synonym
- Ethylidenehydroxylamine Synonym
- Ethanal oxime Synonym
- Acetoaldoxime Synonym
- NSC 4974 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 59.07 g/mol | CAS Common Chemistry |
| 59.068000000000005 g/mol | RDKit | |
| 59.068 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9656 g/cm3 @ 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 |
| 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 59.03711378 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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100
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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 = 59.07 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C2H5NO.
