| CAS Number | 1094426-17-1 |
| Catalog Number | AG01BFLH |
| Chemical Name | 3-(3-Iodophenoxy)propanoic acid |
| IUPAC Name | 3-(3-iodophenoxy)propanoic acid |
| InChI | InChI=1S/C9H9IO3/c10-7-2-1-3-8(6-7)13-5-4-9(11)12/h1-3,6H,4-5H2,(H,11,12) |
| InChI Key | RWYHMFPPGLDKMC-UHFFFAOYSA-N |
| MDL Number | MFCD11182861 |
| Molecular Formula | C9H9IO3 |
| Molecular Weight | 292.0704 |
| SMILES | OC(CCOC1=CC(I)=CC=C1)=O |
| Synonyms | 3-(3-iodophenoxy)propanoic acid,
1094426-17-1,
SCHEMBL12810872,
ZINC36904156,
AKOS009333284,
NE27656,
Z1895741995,
3-(3-iodophenoxy)-propanoic acid,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.072g/mol |
| Monoisotopic Mass | 291.96g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number