TTY
Summary
| Name: | 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid |
| Formula: | C9 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 180.157 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1c2c(oc1)CCCC2=O |
| InChI | InChI | 1.03 | InChI=1S/C9H8O4/c10-6-2-1-3-7-8(6)5(4-13-7)9(11)12/h4H,1-3H2,(H,11,12) |
| InChIKey | InChI | 1.03 | FABBWECRHZNMDQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1coc2CCCC(=O)c12 |
| SMILES | CACTVS | 3.370 | OC(=O)c1coc2CCCC(=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(c2c(o1)CCCC2=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(c2c(o1)CCCC2=O)C(=O)O |
