O65
Summary
| Name: | 3,5-bis(hydroxymethyl)-4-methyl-benzaldehyde |
| Formula: | C10 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 196.2 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3,5-bis(hydroxymethyl)-4-methyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H12O4/c1-6-8(4-11)2-7(10(13)14)3-9(6)5-12/h2-3,11-12H,4-5H2,1H3,(H,13,14) |
| InChIKey | InChI | 1.03 | TUVLEKCXFRQTBI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(CO)cc(cc1CO)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1c(CO)cc(cc1CO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(cc1CO)C(=O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(cc1CO)C(=O)O)CO |
