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Molecule
Osalmid
CAS: 526-18-1 · C13H11NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 526-18-1
- Molecular Formula
- C13H11NO3
- Molecular Mass
- 229.23 g/mol
Identifiers
CAS Registry Number
526-18-1
SMILES
O=C(Nc1ccc(O)cc1)c1ccccc1O
InChI Key
LGCMKPRGGJRYGM-UHFFFAOYSA-N
InChI
InChI=1S/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17)
Names and Synonyms
- Osalmid Synonym
- Benzamide, 2-hydroxy-N-(4-hydroxyphenyl)- Synonym
- Salicylanilide, 4′-hydroxy- Synonym
- 2-Hydroxy-N-(4-hydroxyphenyl)benzamide Synonym
- Driol Synonym
- Driol-Labaz Synonym
- Enidran Synonym
- N-(p-Hydroxyphenyl)salicylamide Synonym
- 4′-Hydroxysalicylanilide Synonym
- Oxaphenamide Synonym
- Salmidochol Synonym
- p-Hydroxyphenylsalicylamide Synonym
- PHPS Synonym
- p′-Hydroxysalicylanilide Synonym
- N′-Salicyloyl-p-aminophenol Synonym
- N-(4-Hydroxyphenyl)salicylamide Synonym
- Osalmid Synonym
- Osalmide Synonym
- Auxobil Synonym
- Bilene Synonym
- Oxaphenamid Synonym
- Dribazil Synonym
- L 1718 Synonym
- Bilocol Synonym
- Li Dan Feng Synonym
- WR 17456 Synonym
- Fumispore Synonym
- Oksafenamide Synonym
- Saryuurin Synonym
- Jestmin Synonym
- Kanochol Synonym
- Yoshicol Synonym
- NSC 93960 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 229.23 g/mol | CAS Common Chemistry |
| 229.23499999999999 g/mol | RDKit | |
| 229.235 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(O)C=C1)C=2C=CC=CC2O | CAS Common Chemistry |
| InChI | InChI=1S/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17) | CAS Common Chemistry |
| InChI Key | InChIKey=LGCMKPRGGJRYGM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 179 °C | CAS Common Chemistry |
| Name | Osalmid | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 69.56 Ų | RDKit |
| LogP | 2.3501000000000007 | RDKit |
| 2.3501 | RDKit | |
| Molar Refractivity | 64.16680000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 229.073893212 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 229.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H11NO3.
