| CAS Number | 159614-88-7 |
| Catalog Number | AG00HYJS(AGN-PC-00NY5N) |
| Chemical Name | Ethyl 3-hydroxy-4-iodobutanoate |
| IUPAC Name | ethyl 3-hydroxy-4-iodobutanoate |
| InChI | InChI=1S/C6H11IO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3 |
| InChI Key | SMWBHOKQXGBYJN-UHFFFAOYSA-N |
| MDL Number | MFCD24524539 |
| Molecular Formula | C6H11IO3 |
| Molecular Weight | 258.0542 |
| SMILES | CCOC(CC(CI)O)=O |
| Synonyms | ethyl 3-hydroxy-4-iodobutanoate,
159614-88-7,
ACMC-20mfgr,
Butanoic acid, 3-hydroxy-4-iodo-, ethyl ester, (R)-,
SCHEMBL2168517,
112083-27-9,
MFCD24524539,
AKOS025212476,
AS-46617,
FT-0760787,
Butanoic acid, 3-hydroxy-4-iodo-, ethyl ester,
Ethyl 3-hydroxy-4-iodo-butanoate,
(S)-Ethyl 3-hydroxy-4-iodobutanoate,
CID9813802,
112100-39-7,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.055g/mol |
| Monoisotopic Mass | 257.975g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number