53E
Summary
| Name: | 2,3-dihydro-1,4-benzodioxine-5-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 | 2,3-dihydro-1,4-benzodioxine-5-carboxylic acid |
| OpenEye OEToolkits | 1.9.2 | 2,3-dihydro-1,4-benzodioxine-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1Oc2c(OC1)c(C(O)=O)ccc2 |
| InChI | InChI | 1.03 | InChI=1S/C9H8O4/c10-9(11)6-2-1-3-7-8(6)13-5-4-12-7/h1-3H,4-5H2,(H,10,11) |
| InChIKey | InChI | 1.03 | VCLSWKVAHAJSFL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc2OCCOc12 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc2OCCOc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c2c(c1)OCCO2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c2c(c1)OCCO2)C(=O)O |
