| CAS Number | 5029-66-3 |
| Catalog Number | AG00DYZL(AGN-PC-0JMQ3P) |
| Chemical Name | 3-Iodopropionic acid methyl ester |
| IUPAC Name | methyl 3-iodopropanoate |
| InChI | InChI=1S/C4H7IO2/c1-7-4(6)2-3-5/h2-3H2,1H3 |
| InChI Key | YIYZNTTWHIYCOO-UHFFFAOYSA-N |
| MDL Number | MFCD24458739 |
| Molecular Formula | C4H7IO2 |
| Molecular Weight | 214.0016 |
| SMILES | O=C(OC)CCI |
| Synonyms | methyl 3-iodopropanoate,
methyl 3-iodopropionate,
5029-66-3,
Propionic acid, 3-iodo-, methyl ester,
methyl-3-iodopropanoate,
AC1L3CQM,
SCHEMBL964131,
DTXSID60198295,
3-Iodopropionic acid methyl ester,
YIYZNTTWHIYCOO-UHFFFAOYSA-N,
3-iodo-propionic acid methyl ester,
FT-0757618,
Methyl 3-?iodopropanoate - stabilized over Cu,
A1-11777,
3-Iodopropionicacidmethylester,
CID138407,
|
| Complexity | 62.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.002g/mol |
| Monoisotopic Mass | 213.949g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number