MAH
Summary
| Name: | 3-HYDROXY-3-METHYL-GLUTARIC ACID |
| Formula: | C6 H10 O5 |
| Formal charge: | 0 |
| Formula weight: | 162.141 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-hydroxy-3-methylpentanedioic acid |
| OpenEye OEToolkits | 1.5.0 | 3-hydroxy-3-methyl-pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(O)(C)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(O)(CC(O)=O)CC(O)=O |
| SMILES | CACTVS | 3.341 | CC(O)(CC(O)=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(CC(=O)O)(CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CC(=O)O)(CC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10) |
| InChIKey | InChI | 1.03 | NPOAOTPXWNWTSH-UHFFFAOYSA-N |
