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Salicylaldoxime
CAS: 94-67-7 | C7H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
94-67-7
Molecular Formula:
C7H7NO2
Molecular Weight:
137.13799999999998 g/mol
Names and Synonyms:
Salicylaldoxime
2-Formylphenol oxime
NSC 5057
Salox
(2-Hydroxyphenylmethylene)azanol
Salicylaldehydoxime
2-Hydroxybenzaldoxime
2-Hydroxybenzaldehyde oxime
Saldox
o-Hydroxybenzaldoxime
Salicylaldoxime
o-Hydroxybenzaldehyde oxime
Salicylaldehyde, oxime
Benzaldehyde, 2-hydroxy-, oxime
Identifiers:
SMILES:
ON=Cc1ccccc1O
InChI:
InChI=1S/C7H7NO2/c9-7-4-2-1-3-6(7)5-8-10/h1-5,9-10H
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 |
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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 | 137.13799999999998 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 137.047678464 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 10 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 3 count | RDKit |
Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 1 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 1 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
Physical Properties
Property | Value | Source |
---|---|---|
LogP | 1.2003 | RDKit |
molecular_mass | 137.14 g/mol | Legacy Database |
wikipedia_url | https://en.wikipedia.org/wiki/Salicylaldoxime None | Legacy Database |
cas-boiling-point | 90-92 °C @ Press: 15 Torr None | Legacy Database |
cas-canonical-smile | ON=CC=1C=CC=CC1O None | Legacy Database |
cas-inchi | InChI=1S/C7H7NO2/c9-7-4-2-1-3-6(7)5-8-10/h1-5,9-10H None | Legacy Database |
cas-inchi-key | InChIKey=ORIHZIZPTZTNCU-UHFFFAOYSA-N None | Legacy Database |
cas-melting-point | 57 °C None | Legacy Database |
cas-name | Salicylaldoxime None | Legacy Database |
wikipedia-name | Salicylaldoxime None | Legacy Database |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 37.48730000000001 | RDKit |