9ON
Summary
| Name: | (2~{S})-2-methylpentanedioic acid |
| Formula: | C6 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 146.141 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-methylpentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | AQYCMVICBNBXNA-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](CCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](CCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@@H](CCC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(CCC(=O)O)C(=O)O |
