| CAS Number | 1875080-45-7 |
| Catalog Number | AG01C9AR |
| Chemical Name | 3-[3-(formyloxy)-2,2-bis[(formyloxy)methyl]propoxy]-2,2-bis[(formyloxy)methyl]propyl formate |
| IUPAC Name | [3-formyloxy-2-[[3-formyloxy-2,2-bis(formyloxymethyl)propoxy]methyl]-2-(formyloxymethyl)propyl] formate |
| InChI | InChI=1S/C16H22O13/c17-9-24-3-15(4-25-10-18,5-26-11-19)1-23-2-16(6-27-12-20,7-28-13-21)8-29-14-22/h9-14H,1-8H2 |
| InChI Key | JHKUOOXSBQXMPJ-UHFFFAOYSA-N |
| MDL Number | MFCD31449481 |
| Molecular Formula | C16H22O13 |
| Molecular Weight | 422.3381 |
| SMILES | O=COCC(COC=O)(COC=O)COCC(COC=O)(COC=O)COC=O |
| Synonyms | 1875080-45-7,
3-[3-(formyloxy)-2,2-bis[(formyloxy)methyl]propoxy]-2,2-bis[(formyloxy)methyl]propyl formate,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 422.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 422.339g/mol |
| Monoisotopic Mass | 422.106g/mol |
| Rotatable Bond Count | 22 |
| Topological Polar Surface Area | 167A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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