CHEBI:193049 - acetic acid-d4

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 acetic acid-d4
ChEBI ID CHEBI:193049
Stars This entity has been manually annotated by a third party.
Submitter Johannes Hunold (ORCID: 0000-0002-4378-6061)
Supplier Information
Download Molfile XML SDF
Formula C2D4O2
Net Charge 0
Average Mass 64.076
Monoisotopic Mass 64.04624
InChI InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD
InChIKey QTBSBXVTEAMEQO-GUEYOVJQSA-N
SMILES O(C(=O)C([2H])([2H])[2H])[2H]
Roles Classification
Chemical Role(s): NMR solvent
A solvent used in nuclear magnetic resonance (NMR) spectroscopy.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Application(s): NMR solvent
A solvent used in nuclear magnetic resonance (NMR) spectroscopy.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(2H3)acetic (2H)acid SUBMITTER
CD3COOD SUBMITTER
deuterated acetic acid SUBMITTER
tetradeuteroacetic acid SUBMITTER
Registry Number Type Source
1186-52-3 CAS Registry Number SUBMITTER
Last Modified
18 October 2023