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Benzaldehyde Oxime
CAS: 932-90-1 | C7H7NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
932-90-1
Molecular Formula:
C7H7NO
Molecular Mass:
121.14 g/mol
Names and Synonyms:
Benzaldehyde Oxime
Benzaldehyde, oxime
Benzaldehyde oxime
Benzaldoxime
α-Benzyl monoxime
α-Benzaldoxime
Benzaloxime
Benzoxime
NSC 68362
Identifiers:
SMILES:
ON=Cc1ccccc1
InChI:
InChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H
Key Properties
Boiling Point
117-119 °C @ Press: 14 Torr
CAS Common Chemistry
Melting Point
35 °C
CAS Common Chemistry
Density
1.12 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 | 121.14 g/mol | CAS Common Chemistry |
| 121.13899999999997 g/mol | RDKit | |
| 121.052763844 g/mol | RDKit | |
| Density | 1.12 g/cm³ | CAS Common Chemistry |
| 1.121 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Benzaldehyde_oxime | CAS Common Chemistry |
| Boiling Point | 117-119 °C @ Press: 14 Torr | CAS Common Chemistry |
| Canonical SMILES | ON=CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H | CAS Common Chemistry |
| InChI Key | InChIKey=VTWKXBJHBHYJBI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 35 °C | CAS Common Chemistry |
| Name | Benzaldehyde oxime | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 1.4947 | RDKit |
| Molar Refractivity | 35.82250000000001 | RDKit |
