XPV
Summary
| Name: | (6-phenyl-1-benzofuran-3-yl)acetic acid |
| Formula: | C16 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 252.265 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6-phenyl-1-benzofuran-3-yl)acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-(6-phenyl-1-benzofuran-3-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)Cc1coc2cc(ccc12)c3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C16H12O3/c17-16(18)9-13-10-19-15-8-12(6-7-14(13)15)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,17,18) |
| InChIKey | InChI | 1.03 | UIXZLSWUYGJHOL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1coc2cc(ccc12)c3ccccc3 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1coc2cc(ccc12)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc3c(c2)occ3CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc3c(c2)occ3CC(=O)O |
