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Cyclohexanone Oxime
CAS: 100-64-1 | C6H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
100-64-1
Molecular Formula:
C6H11NO
Molecular Mass:
113.16 g/mol
Names and Synonyms:
Cyclohexanone Oxime
Cyclohexanone, oxime
Antioxidant D
(Hydroxyimino)cyclohexane
NSC 6300
OxiKhim-Styrol
Cyclohexanone oxime
Exkin III
Borchinox C 3
Identifiers:
SMILES:
ON=C1CCCCC1
InChI:
InChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2
Key Properties
Boiling Point
206-210 °C
CAS Common Chemistry
Melting Point
89-90 °C
CAS Common Chemistry
Density
0.98 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 | 113.16 g/mol | CAS Common Chemistry |
| 113.16000000000001 g/mol | RDKit | |
| 113.084063972 g/mol | RDKit | |
| Density | 0.98 g/cm³ | CAS Common Chemistry |
| 0.980 g/cm3 @ Temp: 804 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyclohexanone_oxime | CAS Common Chemistry |
| Boiling Point | 206-210 °C | CAS Common Chemistry |
| Canonical SMILES | ON=C1CCCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H11NO/c8-7-6-4-2-1-3-5-6/h8H,1-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=VEZUQRBDRNJBJY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 89-90 °C | CAS Common Chemistry |
| Name | Cyclohexanone oxime | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 1.7807 | RDKit |
| Molar Refractivity | 32.30649999999999 | RDKit |
