3-Hydroxy-2,2-bis(hydroxymethyl)propyl heptanoate
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] heptanoate
Also Known As: Pentaerythrityl monoheptanoate|Pentaerythritol heptanoate|3-Hydroxy-2,2-bis(hydroxymethyl)propyl heptanoate|EINECS 244-642-1|3-hydroxy-2,2-bis propylheptanoate|PENTAERYTHRITOL, MONOHEPTANOATE|[3-hydroxy-2,2-bis(hydroxymethyl)propyl] heptanoate|Heptanoic acid 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester|Heptanoic acid,3-hydroxy-2,2-bis(hydroxymethyl)propyl ester|Heptanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
| Molecular Formula | C12H24O5 |
|---|---|
| Molecular Weight | 248.16237 g/mol |
| LogP | 0.46 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 248.16237 |
| Heavy Atoms | 17 |
| Complexity | 192.8 |
Chemical Identifiers
| CAS Number | 21897-55-2 |
|---|---|
| SMILES | CCCCCCC(=O)OCC(CO)(CO)CO |
Product Overview
3-Hydroxy-2,2-bis(hydroxymethyl)propyl heptanoate (CAS 21897-55-2), with molecular formula C12H24O5 and molecular weight 248.16237 g/mol. IUPAC: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] heptanoate.
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