EKZ
Summary
| Name: | 4-tert-butylbenzene-1,2-diol |
| Synonyms: | 4-tert-Butylcatechol (CAS 98-29-3) |
| Formula: | C10 H14 O2 |
| Formal charge: | 0 |
| Formula weight: | 166.217 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-tert-butylbenzene-1,2-diol |
| OpenEye OEToolkits | 1.7.6 | 4-tert-butylbenzene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1ccc(cc1O)C(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3 |
| InChIKey | InChI | 1.03 | XESZUVZBAMCAEJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)c1ccc(O)c(O)c1 |
| SMILES | CACTVS | 3.370 | CC(C)(C)c1ccc(O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)c1ccc(c(c1)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)c1ccc(c(c1)O)O |
