4MA
Summary
| Name: | 4-METHYLBENZOIC ACID |
| Synonyms: | P-METHYLBENZOIC ACID |
| Formula: | C8 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 136.148 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-methylbenzoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-methylbenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1ccc(cc1)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.341 | Cc1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(cc1)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey | InChI | 1.03 | LPNBBFKOUUSUDB-UHFFFAOYSA-N |
