| CAS Number | 67899-04-1 |
| Catalog Number | AG006I7C(AGN-PC-00K8CT) |
| Chemical Name | Hexanoic acid, 6-iodo-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 6-iodohexanoate |
| InChI | InChI=1S/C10H19IO2/c1-10(2,3)13-9(12)7-5-4-6-8-11/h4-8H2,1-3H3 |
| InChI Key | MNNOXJIFTSBCFQ-UHFFFAOYSA-N |
| MDL Number | MFCD27979336 |
| Molecular Formula | C10H19IO2 |
| Molecular Weight | 298.1611 |
| SMILES | ICCCCCC(=O)OC(C)(C)C |
| Synonyms | tert-butyl 6-iodohexanoate,
67899-04-1,
Hexanoic acid, 6-iodo-, 1,1-dimethylethyl ester,
t-butyl 6-iodohexanoate,
SCHEMBL713362,
CTK1J2793,
DTXSID20513783,
MNNOXJIFTSBCFQ-UHFFFAOYSA-N,
ZINC39348073,
6-Iodo-hexanoic acid tert-butyl ester,
DA-04385,
FT-0762739,
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| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.164g/mol |
| Monoisotopic Mass | 298.043g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number