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Methylethyl Ketone Oxime
CAS: 96-29-7 | C4H9NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
96-29-7
Molecular Formula:
C4H9NO
Molecular Weight:
87.12199999999999 g/mol
Names and Synonyms:
Methylethyl Ketone Oxime
Common Name
Skino 2
Synonym
MSDS
Synonym
Butoxime
Synonym
KL 841
Synonym
Borchinox M 2
Synonym
Hiaron M 1
Synonym
Troykyd AntiSkin B
Synonym
NSC 65465
Synonym
NSC 442
Synonym
Mekor 70
Synonym
Exkin 2
Synonym
Exkin II
Synonym
Aron M 1
Synonym
2-Butoxime
Synonym
Ethyl methyl ketone oxime
Synonym
Methyl ethyl ketone oxime
Synonym
Ethyl methyl ketoxime
Synonym
MEK-oxime
Synonym
Methyl ethyl ketoxime
Synonym
2-Butanone, oxime
Synonym
Identifiers:
SMILES:
CCC(C)=NO
InChI:
InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 87.12199999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 87.068413908 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 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 | 1.2465 | RDKit |
| molecular_mass | 87.12 g/mol | Legacy Database |
| density | 0.92 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Methylethyl_ketone_oxime None | Legacy Database |
| cas-boiling-point | 152.5 °C None | Legacy Database |
| cas-canonical-smile | ON=C(C)CC None | Legacy Database |
| cas-density | 0.9232 g/cm3 @ Temp: 80 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=WHIVNJATOVLWBW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -29.5 °C None | Legacy Database |
| cas-name | Methyl ethyl ketoxime None | Legacy Database |
| wikipedia-name | Methylethyl ketone oxime None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.18649999999999 | RDKit |