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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 Mass:
138.12 g/mol
Names and Synonyms:
Salicylic Acid
Benzoic acid, 2-hydroxy-
Salicylic acid
2-Hydroxybenzoic acid
o-Hydroxybenzoic acid
Retarder W
Salicylic acid collodion
Rutranex
Salonil
Psoriacid-S-Stift
Phenol-2-carboxylic acid
2-Hydroxybenzenecarboxylic acid
2-Carboxyphenol
o-Carboxyphenol
Duoplant
Salicylic Acid Soap
337
Advanced Pain Relief Callus Removers
380
Dr. Scholl's Callus Removers
311
51
334
Stri-Dex
Compound W
Freezone
Clear away Wart Remover
171
Duofil Wart Remover
Saligel
Advanced Pain Relief Corn Removers
Dr. Scholl's Wart Remover Kit
Ionil Plus
K 557
Ionil
K 537
Dr. Scholl's Corn Removers
NSC 180
Trans-Ver-Sal
Salvona Nanosal
Verrugon
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)
Key Properties
Boiling Point
211 °C (approx) @ Press: 20 Torr
CAS Common Chemistry
Melting Point
157-159 °C
CAS Common Chemistry
Density
1.44 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 | 138.12 g/mol | CAS Common Chemistry |
| 138.12199999999999 g/mol | RDKit | |
| 138.031694052 g/mol | RDKit | |
| Density | 1.44 g/cm³ | CAS Common Chemistry |
| 1.443 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Salicylic_acid | CAS Common Chemistry |
| Boiling Point | 211 °C (approx) @ Press: 20 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C=1C=CC=CC1O | CAS Common Chemistry |
| InChI | InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 157-159 °C | CAS Common Chemistry |
| Name | Salicylic acid | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 1.0903999999999998 | RDKit |
| Molar Refractivity | 35.066100000000006 | RDKit |
Related Molecules
Other compounds with formula C7H6O3
