8AC
Summary
Name: | 8-aminooctanoic acid |
Synonyms: | 8-aminocaprylic acid |
Formula: | C8 H17 N O2 |
Formal charge: | 0 |
Formula weight: | 159.226 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 8-aminooctanoic acid |
OpenEye OEToolkits | 1.7.0 | 8-azanyloctanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCCCCCCN |
SMILES_CANONICAL | CACTVS | 3.370 | NCCCCCCCC(O)=O |
SMILES | CACTVS | 3.370 | NCCCCCCCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C(CCCC(=O)O)CCCN |
SMILES | OpenEye OEToolkits | 1.7.0 | C(CCCC(=O)O)CCCN |
InChI | InChI | 1.03 | InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11) |
InChIKey | InChI | 1.03 | UQXNEWQGGVUVQA-UHFFFAOYSA-N |