2D2
Summary
| Name: | 2-methyl-5-phenylfuran-3-carboxylic acid |
| Formula: | C12 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 202.206 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methyl-5-phenylfuran-3-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 2-methyl-5-phenyl-furan-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc(oc1C)c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | VLMNACSEESRUAK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1oc(cc1C(O)=O)c2ccccc2 |
| SMILES | CACTVS | 3.385 | Cc1oc(cc1C(O)=O)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(cc(o1)c2ccccc2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(cc(o1)c2ccccc2)C(=O)O |
