8-Chloro-6-hydroxyoctanoic acid
Product Specifications
- CAS
- 90435-60-2
- Molecular Formula
- C8H15ClO3
- Appearance
- off-white solid
- Synonym(s)
- Thioctic Acid Impurity; Octanoic acid, 8-chloro-6-hydroxy-; 8-Chlor-6-hydroxy-caprylsaeure; rac-Lipoic Acid Impurity
- Shipping
- ambient temperature
- Storage
- 2-8°C
- SMILES
- C(CCC(=O)O)CC(CCCl)O
- InChI
- InChI=1S/C8H15ClO3/c9-6-5-7(10)3-1-2-4-8(11)12/h7,10H,1-6H2,(H,11,12)
Product Information
PubChem CID 10954458 is the verified public identity for 8-Chloro-6-hydroxyoctanoic acid. The compound is referenced by CAS 90435-60-2 and has molecular formula C8H15ClO3. Its SMILES is C(CCC(=O)O)CC(CCCl)O, and its structure-derived key is WXPREQDMOKXUIM-UHFFFAOYSA-N. Agreement among these values fixes one connected molecular graph.
Numbering begins at the carboxylic acid carbon of the eight-carbon chain. The hydroxyl group is located at carbon 6, while chlorine is attached at terminal carbon 8. Formula C8H15ClO3 counts eight carbons, fifteen hydrogens, one chlorine, and three oxygens: two in the acid group and one in the separate hydroxyl group. The displayed PubChem structure does not assign a stereochemical configuration to the hydroxy-bearing carbon, so no R/S descriptor belongs in this verified name. It also contains no dot-separated counterion. These details separate the record from other chlorohydroxyoctanoic acid positional forms.
To submit a focused inquiry, provide CAS 90435-60-2, the complete 8-chloro-6-hydroxy name, and the quantity being considered. Add contact details and specify which identity documents you want reviewed with the response. Formula C8H15ClO3 and InChIKey WXPREQDMOKXUIM-UHFFFAOYSA-N can be checked first if the request originates from a structure file rather than a name. Rlavie can then associate the form with CID 10954458 and this precise chain numbering. Leaving out the two locants would make the request less specific because several arrangements may share the same elemental composition.