30551-89-4 Purity
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Specification
The molecular formula of pentaerythritol ethoxylate is C7H16O5.
The molecular weight of pentaerythritol ethoxylate is 180.20 g/mol.
The IUPAC name of pentaerythritol ethoxylate is 2,2-bis(hydroxymethyl)propane-1,3-diol;oxirane.
The InChI of pentaerythritol ethoxylate is InChI=1S/C5H12O4.C2H4O/c6-1-5(2-7,3-8)4-9;1-2-3-1/h6-9H,1-4H2;1-2H2.
The InChIKey of pentaerythritol ethoxylate is VFFFESPCCPXZOQ-UHFFFAOYSA-N.
The canonical SMILES of pentaerythritol ethoxylate is C1CO1.C(C(CO)(CO)CO)O.
The hydrogen bond donor count of pentaerythritol ethoxylate is 4.
The hydrogen bond acceptor count of pentaerythritol ethoxylate is 5.
The rotatable bond count of pentaerythritol ethoxylate is 4.
Yes, pentaerythritol ethoxylate is a canonicalized compound.