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Salicylamide
CAS: 65-45-2 | C7H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
65-45-2
Molecular Formula:
C7H7NO2
Molecular Weight:
137.13799999999998 g/mol
Names and Synonyms:
Salicylamide
Benzamide, 2-hydroxy-
Salicylamide
2-Hydroxybenzamide
Acket
Afko-Sal
Algamon
Algiamida
Amidosal
Amid-Sal
Anamid
Benesal
Dropsprin
o-Hydroxybenzamide
Liquiprin
Novecyl
OHB
Oramid
Panithal
Raspberin
Salamide
Saliamin
Salicim
Salipur
Salizell
Salrin
Salymid
Urtosal
Salicylic acid amide
Saliamid
Cymidon
Morsarinas
Cetamide
Allevin
Serramida
2-Carbamoylphenol
2-Carboxamidophenol
SR 4326
Salamid
Samid
Cidal
NSC 3115
NSC 83150
Identifiers:
SMILES:
N=C(O)c1ccccc1O
InChI:
InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 137.14 g/mol | Legacy Database |
| density | 1.18 g/cm³ | Legacy Database |
| cas-boiling-point | 181.5 °C @ Press: 14 Torr None | Legacy Database |
| cas-canonical-smile | O=C(N)C=1C=CC=CC1O None | Legacy Database |
| cas-density | 1.175 g/cm3 @ Temp: 140 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10) None | Legacy Database |
| cas-inchi-key | InChIKey=SKZKKFZAGNVIMN-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 140 °C None | Legacy Database |
| cas-name | Salicylamide None | Legacy Database |
| LogP | 1.2755699999999999 | RDKit |
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 | 2 count | RDKit |
| Hydrogen Bond Donors | 3 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 | 64.31 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.56430000000002 | RDKit |
