36M
Summary
| Name: | propyl 4-hydroxybenzoate |
| Formula: | C10 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 180.2 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | propyl 4-hydroxybenzoate |
| OpenEye OEToolkits | 1.9.2 | propyl 4-oxidanylbenzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCCC)c1ccc(O)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3 |
| InChIKey | InChI | 1.03 | QELSKZZBTMNZEB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCOC(=O)c1ccc(O)cc1 |
| SMILES | CACTVS | 3.385 | CCCOC(=O)c1ccc(O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCOC(=O)c1ccc(cc1)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCOC(=O)c1ccc(cc1)O |
