| CAS Number | 62994-00-7 |
| Catalog Number | AG00ITP3(AGN-PC-0ODYWW) |
| Chemical Name | (2E)-2,3-Diiodobut-2-ene-1,4-diol |
| IUPAC Name | 2,3-diiodobut-2-ene-1,4-diol |
| InChI | InChI=1S/C4H6I2O2/c5-3(1-7)4(6)2-8/h7-8H,1-2H2 |
| InChI Key | WWMZIRRYCABFJV-UHFFFAOYSA-N |
| MDL Number | MFCD30833911 |
| Molecular Formula | C4H6I2O2 |
| Molecular Weight | 339.8982 |
| SMILES | OC/C(/I)=C(/CO)I |
| Synonyms | 62994-00-7,
(2E)-2,3-diiodobut-2-ene-1,4-diol,
CTK0A2244,
CTK1I8558,
2-Butene-1,4-diol, 2,3-diiodo-,
(E)-2,3-Diiodobut-2-ene-1,4-diol,
KS-000029U8,
2-Butene-1,4-diol, 2,3-diiodo-, (2E)-,
19095-64-8,
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| Complexity | 88.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.846g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.899g/mol |
| Monoisotopic Mass | 339.846g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number