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Salicylic Acid
CAS: 69-72-7 | C7H6O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
69-72-7
Molecular Formula:
C7H6O3
Molecular Weight:
138.12199999999999 g/mol
Names and Synonyms:
Salicylic Acid
Freezone
Compound W
Stri-Dex
334
51
311
Dr. Scholl's Callus Removers
380
Advanced Pain Relief Callus Removers
337
Salicylic Acid Soap
Duoplant
o-Carboxyphenol
2-Carboxyphenol
2-Hydroxybenzenecarboxylic acid
Phenol-2-carboxylic acid
Psoriacid-S-Stift
Salonil
Rutranex
Salicylic acid collodion
Retarder W
o-Hydroxybenzoic acid
2-Hydroxybenzoic acid
Salicylic acid
Benzoic acid, 2-hydroxy-
Verrugon
Salvona Nanosal
Trans-Ver-Sal
NSC 180
Dr. Scholl's Corn Removers
K 537
Ionil
K 557
Ionil Plus
Dr. Scholl's Wart Remover Kit
Advanced Pain Relief Corn Removers
Saligel
Duofil Wart Remover
171
Clear away Wart Remover
Identifiers:
SMILES:
O=C(O)c1ccccc1O
InChI:
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 138.12199999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 138.031694052 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 | 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 | 57.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.0903999999999998 | RDKit |
| molecular_mass | 138.12 g/mol | Legacy Database |
| density | 1.44 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Salicylic_acid None | Legacy Database |
| cas-boiling-point | 211 °C (approx) @ Press: 20 Torr None | Legacy Database |
| cas-canonical-smile | O=C(O)C=1C=CC=CC1O None | Legacy Database |
| cas-density | 1.443 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) None | Legacy Database |
| cas-inchi-key | InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 157-159 °C None | Legacy Database |
| cas-name | Salicylic acid None | Legacy Database |
| wikipedia-name | Salicylic acid None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 35.066100000000006 | RDKit |
