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CHEBI:233689 - neopentyl glycol sebacate

ChEBI IDCHEBI:233689
ChEBI Nameneopentyl glycol sebacate
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FormulaC15H28O5
Net Charge0
Average Mass288.384
Monoisotopic Mass288.19367
SMILESCC(C)(CO)COC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C15H28O5/c1-15(2,11-16)12-20-14(19)10-8-6-4-3-5-7-9-13(17)18/h16H,3-12H2,1-2H3,(H,17,18)
InChIKeyFURTUUDQMNFNLY-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
neopentyl glycol sebacate (CHEBI:233689) is a medium-chain fatty acid (CHEBI:59554)