T55
Summary
| Name: | 8-METHYLNONANOIC ACID |
| Formula: | C10 H20 O2 |
| Formal charge: | 0 |
| Formula weight: | 172.265 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 8-methylnonanoic acid |
| OpenEye OEToolkits | 1.6.1 | 8-methylnonanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)CCCCCCC(C)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)CCCCCCC(O)=O |
| SMILES | CACTVS | 3.352 | CC(C)CCCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(C)CCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(C)CCCCCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H20O2/c1-9(2)7-5-3-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12) |
| InChIKey | InChI | 1.03 | OAOABCKPVCUNKO-UHFFFAOYSA-N |
