Structure

InChI Key JVTAAEKCZFNVCJ-UHFFFAOYSA-N
Smile CC(O)C(=O)O
InChI
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6O3
Molecular Weight 90.08
AlogP -0.55
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 57.53
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 6.0

Pharmacology

Action Mechanism of Action Reference
None pH lowering agent

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 2 D010146 ClinicalTrials
Tonsillitis 1 D014069 ClinicalTrials

Related Entries

Mixture

Cross References

Resources Reference
CAS NUMBER 50-21-5
ChEBI 28358
ChEMBL CHEMBL1200559
DrugBank DB04398
DrugCentral 1533
EPA CompTox DTXSID7023192
FDA SRS 33X04XA5AT
Human Metabolome Database HMDB0144295
KEGG C01432
PubChem 19789253
SureChEMBL SCHEMBL15902696