Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TC7N3T6225
EPA CompTox DTXSID6063355

Structure

InChI Key CZPZWMPYEINMCF-UHFFFAOYSA-N
Smiles CCC(=O)OO
InChI
InChI=1S/C3H6O3/c1-2-3(4)6-5/h5H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6O3
Molecular Weight 90.03
AlogP 0.41
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 46.53
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 4212-43-5
NORMAN SUSDAT
FDA SRS TC7N3T6225
PubChem 65136
ChemSpider 58645.0