EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:136029 - dimethylcarbate

Default Structure
ChEBI IDCHEBI:136029
ChEBI Namedimethylcarbate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC11H14O4
Net Charge0
Average Mass210.229
Monoisotopic Mass210.08921
SMILESCOC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2C=C[C@H]1C2
InChIInChI=1S/C11H14O4/c1-14-10(12)8-6-3-4-7(5-6)9(8)11(13)15-2/h3-4,6-9H,5H2,1-2H3/t6-,7+,8-,9+
InChIKeyVGQLNJWOULYVFV-SPJNRGJMSA-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)
dimethylcarbate (CHEBI:136029) is a dicarboxylic acid (CHEBI:35692)
Synonyms  Source
dimaloneDrugCentral
dimethyl carbateDrugCentral
Manual XrefsDatabases
4770DrugCentral
Registry NumbersSources
CAS:39589-98-5DrugCentral