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Molecule
Salicylaldoxime
CAS: 94-67-7 · C7H7NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 94-67-7
- Molecular Formula
- C7H7NO2
- Molecular Mass
- 137.14 g/mol
Identifiers
CAS Registry Number
94-67-7
SMILES
ON=Cc1ccccc1O
InChI Key
ORIHZIZPTZTNCU-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c9-7-4-2-1-3-6(7)5-8-10/h1-5,9-10H
Names and Synonyms
- Salicylaldoxime Common Name
- Benzaldehyde, 2-hydroxy-, oxime Synonym
- Salicylaldehyde, oxime Synonym
- o-Hydroxybenzaldehyde oxime Synonym
- Salicylaldoxime Synonym
- o-Hydroxybenzaldoxime Synonym
- Saldox Synonym
- 2-Hydroxybenzaldehyde oxime Synonym
- 2-Hydroxybenzaldoxime Synonym
- Salicylaldehydoxime Synonym
- (2-Hydroxyphenylmethylene)azanol Synonym
- Salox Synonym
- NSC 5057 Synonym
- 2-Formylphenol oxime Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.14 g/mol | CAS Common Chemistry |
| 137.13799999999998 g/mol | RDKit | |
| 137.138 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Salicylaldoxime | CAS Common Chemistry |
| Canonical SMILES | ON=CC=1C=CC=CC1O | CAS Common Chemistry |
| InChI | InChI=1S/C7H7NO2/c9-7-4-2-1-3-6(7)5-8-10/h1-5,9-10H | CAS Common Chemistry |
| InChI Key | InChIKey=ORIHZIZPTZTNCU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 57 °C | CAS Common Chemistry |
| Name | Salicylaldoxime | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| 52.82 Ų | RDKit | |
| LogP | 1.2003 | RDKit |
| Molar Refractivity | 37.48730000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 137.047678464 g/mol | RDKit |
| Boiling Point | 90-92 °C @ 15 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 137.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H7NO2.
