CHEBI:179753 - Nonanal propyleneglycol acetal

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Nonanal propyleneglycol acetal
ChEBI ID CHEBI:179753
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H24O2
Net Charge 0
Average Mass 200.322
Monoisotopic Mass 200.17763
InChI InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-12-13-10-11(2)14-12/h11-12H,3-10H2,1-2H3
InChIKey AGNUIQKIUPCFET-UHFFFAOYSA-N
SMILES O1C(OCC1C)CCCCCCCC
ChEBI Ontology
Outgoing Nonanal propyleneglycol acetal (CHEBI:179753) is a dioxolane (CHEBI:39430)
IUPAC Name
4-methyl-2-octyl-1,3-dioxolane
Manual Xrefs Databases
86265 ChemSpider
HMDB0032440 HMDB
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Registry Number Type Source
68391-39-9 CAS Registry Number ChemIDplus