| CAS Number | 1729-32-4 |
| Catalog Number | AG019G6B(AGN-PC-0N9552) |
| Chemical Name | 5-(iodomethyl)oxolan-2-one |
| IUPAC Name | 5-(iodomethyl)oxolan-2-one |
| InChI | InChI=1S/C5H7IO2/c6-3-4-1-2-5(7)8-4/h4H,1-3H2 |
| InChI Key | JINVQKMSBSYTHN-UHFFFAOYSA-N |
| MDL Number | MFCD26938567 |
| Molecular Formula | C5H7IO2 |
| Molecular Weight | 226.0124 |
| SMILES | ICC1OC(=O)CC1 |
| Synonyms | 5-(Iodomethyl)dihydrofuran-2(3H)-one,
1729-32-4,
5-(iodomethyl)oxolan-2-one,
SCHEMBL5572283,
5-(Iodomethyl)tetrahydrofuran-2-one,
MFCD26938567,
5-(Iodomethyl)dihydrofuran-2(3H)-one-I2850,
CID10704407,
|
| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.013g/mol |
| Monoisotopic Mass | 225.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number