ZEU
Summary
Name: | 9-hydroxynonanoic acid |
Formula: | C9 H18 O3 |
Formal charge: | 0 |
Formula weight: | 174.237 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 9-hydroxynonanoic acid |
OpenEye OEToolkits | 1.7.6 | 9-oxidanylnonanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCCCCCCCO |
InChI | InChI | 1.03 | InChI=1S/C9H18O3/c10-8-6-4-2-1-3-5-7-9(11)12/h10H,1-8H2,(H,11,12) |
InChIKey | InChI | 1.03 | AFZMICRBFKZNIH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OCCCCCCCCC(O)=O |
SMILES | CACTVS | 3.370 | OCCCCCCCCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C(CCCCO)CCCC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | C(CCCCO)CCCC(=O)O |