CHEBI:193049 - acetic acid-d4

ChEBI IDCHEBI:193049
ChEBI Nameacetic acid-d4
Stars
Last Modified18 October 2023
SubmitterJohannes Hunold (ORCID: 0000-0002-4378-6061)
DownloadsMolfile
FormulaC2D4O2
Net Charge0
Average Mass64.076
Monoisotopic Mass64.04624
SMILES[2H]OC(=O)C([2H])([2H])[2H]
InChIInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD
InChIKeyQTBSBXVTEAMEQO-GUEYOVJQSA-N
Roles Classification
Chemical Roles:
NMR solvent  A solvent used in nuclear magnetic resonance (NMR) spectroscopy.
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
NMR solvent  A solvent used in nuclear magnetic resonance (NMR) spectroscopy.
ChEBI Ontology
Outgoing Relation(s)
acetic acid-d4 (CHEBI:193049) has role NMR solvent (CHEBI:197449)
acetic acid-d4 (CHEBI:193049) is a deuterated compound (CHEBI:76107)
acetic acid-d4 (CHEBI:193049) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
deuterio 2,2,2-trideuterioacetate
Synonyms  Source
(2H3)acetic (2H)acidSUBMITTER
CD3COODSUBMITTER
deuterated acetic acidSUBMITTER
tetradeuteroacetic acidSUBMITTER
Registry NumbersSources
CAS:1186-52-3SUBMITTER