| CAS Number | 124935-83-7 |
| Catalog Number | AG01B25Q(AGN-PC-0N3TSW) |
| Chemical Name | Tert-butyl 3-iodopropanoate |
| IUPAC Name | tert-butyl 3-iodopropanoate |
| InChI | InChI=1S/C7H13IO2/c1-7(2,3)10-6(9)4-5-8/h4-5H2,1-3H3 |
| InChI Key | GILNHUAOFIUFOU-UHFFFAOYSA-N |
| MDL Number | MFCD29991563 |
| Molecular Formula | C7H13IO2 |
| Molecular Weight | 256.0814 |
| SMILES | CC(OC(CCI)=O)(C)C |
| Synonyms | Tert-butyl 3-iodopropanoate,
124935-83-7,
t-butyl 3-iodopropionate,
SCHEMBL10606,
GILNHUAOFIUFOU-UHFFFAOYSA-N,
ZINC38777613,
CID10400154,
|
| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.083g/mol |
| Monoisotopic Mass | 255.996g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number