| CAS Number | 57681-50-2 |
| Catalog Number | AG019S7M |
| Chemical Name | sodium 4-hydroxyundecanoate |
| IUPAC Name | sodium;4-hydroxyundecanoate |
| InChI | InChI=1S/C11H22O3.Na/c1-2-3-4-5-6-7-10(12)8-9-11(13)14;/h10,12H,2-9H2,1H3,(H,13,14);/q;+1/p-1 |
| InChI Key | VQTLGLGPQXZERV-UHFFFAOYSA-M |
| MDL Number | MFCD20501990 |
| Molecular Formula | C11H21NaO3 |
| Molecular Weight | 224.2724 |
| SMILES | [Na+].CCCCCCCC(CCC([O-])=O)O |
| Synonyms | sodium 4-hydroxyundecanoate,
57681-50-2,
SCHEMBL5186480,
VQTLGLGPQXZERV-UHFFFAOYSA-M,
4-hydroxy-undecanoic acid sodium salt,
NE41929,
EN300-92087,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.276g/mol |
| Monoisotopic Mass | 224.139g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number