PWY
Summary
| Name: | (6-methoxynaphthalen-2-yl)acetic acid |
| Formula: | C13 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 216.233 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6-methoxynaphthalen-2-yl)acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-(6-methoxynaphthalen-2-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(CC(=O)O)cc2c1cc(cc2)OC |
| InChI | InChI | 1.03 | InChI=1S/C13H12O3/c1-16-12-5-4-10-6-9(7-13(14)15)2-3-11(10)8-12/h2-6,8H,7H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.03 | PHJFLPMVEFKEPL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2cc(CC(O)=O)ccc2c1 |
| SMILES | CACTVS | 3.385 | COc1ccc2cc(CC(O)=O)ccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc2cc(ccc2c1)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc2cc(ccc2c1)CC(=O)O |
