KNA
Summary
Name: | nonanoic acid |
Formula: | C9 H18 O2 |
Formal charge: | 0 |
Formula weight: | 158.238 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | nonanoic acid |
OpenEye OEToolkits | 1.7.2 | nonanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11) |
InChIKey | InChI | 1.03 | FBUKVWPVBMHYJY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCCCC(O)=O |
SMILES | CACTVS | 3.370 | CCCCCCCCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCCCCCCCC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.2 | CCCCCCCCC(=O)O |