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Molecule
Olsalazine
CAS: 15722-48-2 · C14H10N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 15722-48-2
- Molecular Formula
- C14H10N2O6
- Molecular Mass
- 302.24 g/mol
Identifiers
CAS Registry Number
15722-48-2
SMILES
O=C(O)c1cc(N=Nc2ccc(O)c(C(=O)O)c2)ccc1O
InChI Key
QQBDLJCYGRGAKP-UHFFFAOYSA-N
InChI
InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)
Names and Synonyms
- Olsalazine Synonym
- Benzoic acid, 3,3′-(1,2-diazenediyl)bis[6-hydroxy- Synonym
- C.I. Mordant Yellow 5 Synonym
- Benzoic acid, 3,3′-azobis[6-hydroxy- Synonym
- Salicylic acid, 5,5′-azodi- Synonym
- 3,3′-(1,2-Diazenediyl)bis[6-hydroxybenzoic acid] Synonym
- 3,3′-Dicarboxy-4,4′-dihydroxyazobenzene Synonym
- 3,3′-Azobis(6-hydroxybenzoic acid) Synonym
- 5,5′-Azobis(salicylic acid) Synonym
- Azodisal Synonym
- Olsalazine Synonym
- 5,5′-Azodisalicylic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 302.24 g/mol | CAS Common Chemistry |
| 302.242 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1=CC(N=NC2=CC=C(O)C(=C2)C(=O)O)=CC=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22) | CAS Common Chemistry |
| InChI Key | InChIKey=QQBDLJCYGRGAKP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >300 °C @ Solvent: Acetic acid, Water | CAS Common Chemistry |
| Name | Olsalazine | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 139.78 Ų | RDKit |
| LogP | 2.9096000000000006 | RDKit |
| 2.9096 | RDKit | |
| Molar Refractivity | 74.30820000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 302.05388603999995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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5
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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.
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MW = 302.24 g/mol. Edit any field — others recompute live.
