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Structure

Pentaerythritol mononicotinate

CAS
38450-26-9
Catalog Number
ACM38450269
Category
Other Products
Molecular Weight
241.24
Molecular Formula
C11H15NO5

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Specification

Synonyms
38450-26-9, CTK1A8906, PENTAERYTHRITOLMONONICOTINATE, 3-Pyridinecarboxylic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
IUPAC Name
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] pyridine-3-carboxylate
Canonical SMILES
C1=CC(=CN=C1)C(=O)OCC(CO)(CO)CO
InChI Key
JKHPTPPSLXHHNA-UHFFFAOYSA-N
Exact Mass
241.09500
H-Bond Acceptor
6
H-Bond Donor
3
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