MHB
Summary
| Name: | 2-((3'-METHYL-4'-HYDROXYPHENYL)AZO)BENZOIC ACID |
| Formula: | C14 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 256.257 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[(E)-(4-hydroxy-3-methylphenyl)diazenyl]benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(4-hydroxy-3-methyl-phenyl)diazenylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c2ccccc2/N=N/c1ccc(O)c(c1)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc(ccc1O)N=Nc2ccccc2C(O)=O |
| SMILES | CACTVS | 3.341 | Cc1cc(ccc1O)N=Nc2ccccc2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc(ccc1O)/N=N/c2ccccc2C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc(ccc1O)N=Nc2ccccc2C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H12N2O3/c1-9-8-10(6-7-13(9)17)15-16-12-5-3-2-4-11(12)14(18)19/h2-8,17H,1H3,(H,18,19)/b16-15+ |
| InChIKey | InChI | 1.03 | SBSCJWJICRGLIV-FOCLMDBBSA-N |
