| CAS Number | 256486-41-6 |
| Catalog Number | AG01A9IW |
| Chemical Name | 6-(4-Iodophenyl)hexanoic acid |
| IUPAC Name | 6-(4-iodophenyl)hexanoic acid |
| InChI | InChI=1S/C12H15IO2/c13-11-8-6-10(7-9-11)4-2-1-3-5-12(14)15/h6-9H,1-5H2,(H,14,15) |
| InChI Key | UTWLOJBITUCZTD-UHFFFAOYSA-N |
| MDL Number | MFCD12172608 |
| Molecular Formula | C12H15IO2 |
| Molecular Weight | 318.1508 |
| SMILES | OC(CCCCCC1=CC=C(I)C=C1)=O |
| Synonyms | 6-(4-iodophenyl)hexanoic acid,
256486-41-6,
AC1Q75F7,
ZINC35323989,
AKOS009480273,
MCULE-3614915787,
NE29753,
EN300-65224,
Z1259161918,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.154g/mol |
| Monoisotopic Mass | 318.012g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number