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CHEBI:173898 - Butyl ethyl malonate

Default Structure
ChEBI IDCHEBI:173898
ChEBI NameButyl ethyl malonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16O4
Net Charge0
Average Mass188.223
Monoisotopic Mass188.10486
SMILESCCCCOC(=O)CC(=O)OCC
InChIInChI=1S/C9H16O4/c1-3-5-6-13-9(11)7-8(10)12-4-2/h3-7H2,1-2H3
InChIKeyIHVVZSPWQJWRDV-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)
Butyl ethyl malonate (CHEBI:173898) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
3-O-butyl 1-O-ethyl propanedioate
Manual XrefsDatabases
4314196ChemSpider
HMDB0036233HMDB
Registry NumbersSources
CAS:17373-84-1ChemIDplus