38U
Summary
| Name: | 3-methyl-1H-indene-2-carboxylic acid |
| Formula: | C11 H10 O2 |
| Formal charge: | 0 |
| Formula weight: | 174.196 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-methyl-1H-indene-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 3-methyl-1H-indene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C2=C(c1ccccc1C2)C |
| InChI | InChI | 1.03 | InChI=1S/C11H10O2/c1-7-9-5-3-2-4-8(9)6-10(7)11(12)13/h2-5H,6H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | RONBYWGSEXDEKC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(Cc2ccccc12)C(O)=O |
| SMILES | CACTVS | 3.385 | CC1=C(Cc2ccccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=C(Cc2c1cccc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=C(Cc2c1cccc2)C(=O)O |
