Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key ZENGSDRPRGWNLF-ARJAWSKDSA-N
Smiles N#CC(=CO)C(=O)OC
InChI
InChI=1/C5H5NO3/c1-9-5(8)4(2-6)3-7/h3,7H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5NO3
Molecular Weight 127.03
AlogP 0.12
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 70.32
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 87698-54-2
NORMAN SUSDAT
PubChem 20836252