5NE
Summary
| Name: | 5-methylnaphthalene-1-carboxylic acid |
| Formula: | C12 H10 O2 |
| Formal charge: | 0 |
| Formula weight: | 186.207 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-methylnaphthalene-1-carboxylic acid |
| OpenEye OEToolkits | 2.0.4 | 5-methylnaphthalene-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cccc2c1cccc2C |
| InChI | InChI | 1.03 | InChI=1S/C12H10O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | VLEZTIKHFUAVRK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc2c1cccc2C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1cccc2c1cccc2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1cccc2c1cccc2C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1cccc2c1cccc2C(=O)O |
