A1ABE
Summary
| Name: | (3M)-3-(furan-2-yl)benzoic acid |
| Formula: | C11 H8 O3 |
| Formal charge: | 0 |
| Formula weight: | 188.179 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3M)-3-(furan-2-yl)benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 3-(furan-2-yl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cccc(c1)c1ccco1 |
| InChI | InChI | 1.06 | InChI=1S/C11H8O3/c12-11(13)9-4-1-3-8(7-9)10-5-2-6-14-10/h1-7H,(H,12,13) |
| InChIKey | InChI | 1.06 | RQVVFGRDMHDHNI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(c1)c2occc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc(c1)c2occc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=O)O)c2ccco2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(=O)O)c2ccco2 |
