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Molecule
Salicylic Acid
CAS: 69-72-7 · C7H6O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 69-72-7
- Molecular Formula
- C7H6O3
- Molecular Mass
- 138.12 g/mol
Identifiers
CAS Registry Number
69-72-7
SMILES
O=C(O)c1ccccc1O
InChI Key
YGSDEFSMJLZEOE-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
Names and Synonyms
- Salicylic Acid Common Name
- Benzoic acid, 2-hydroxy- Synonym
- Salicylic acid Synonym
- 2-Hydroxybenzoic acid Synonym
- o-Hydroxybenzoic acid Synonym
- Retarder W Synonym
- Salicylic acid collodion Synonym
- Rutranex Synonym
- Salonil Synonym
- Psoriacid-S-Stift Synonym
- Phenol-2-carboxylic acid Synonym
- 2-Hydroxybenzenecarboxylic acid Synonym
- 2-Carboxyphenol Synonym
- o-Carboxyphenol Synonym
- Duoplant Synonym
- Salicylic Acid Soap Synonym
- 337 Synonym
- Advanced Pain Relief Callus Removers Synonym
- 380 Synonym
- Dr. Scholl's Callus Removers Synonym
- 311 Synonym
- 51 Synonym
- 334 Synonym
- Stri-Dex Synonym
- Compound W Synonym
- Freezone Synonym
- Clear away Wart Remover Synonym
- 171 Synonym
- Duofil Wart Remover Synonym
- Saligel Synonym
- Advanced Pain Relief Corn Removers Synonym
- Dr. Scholl's Wart Remover Kit Synonym
- Ionil Plus Synonym
- K 557 Synonym
- Ionil Synonym
- K 537 Synonym
- Dr. Scholl's Corn Removers Synonym
- NSC 180 Synonym
- Trans-Ver-Sal Synonym
- Salvona Nanosal Synonym
- Verrugon Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.12 g/mol | CAS Common Chemistry |
| 138.12199999999999 g/mol | RDKit | |
| 138.122 g/mol | RDKit | |
| Density | 1.44 g/cm³ | CAS Common Chemistry |
| 1.443 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Salicylic_acid | 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 |
| 1.0904 | RDKit | |
| Molar Refractivity | 35.066100000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 138.031694052 g/mol | RDKit |
| Boiling Point | 211 °C (approx) @ 20 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 = 138.12 g/mol; density = 1.440 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H6O3.
