Keyword(s): Human Metabolites
Molecule Category Free-form
UNII G5JMQ8SDF8
EPA CompTox DTXSID10185731

Structure

InChI Key VSXXRAHVAYBSQH-UHFFFAOYSA-N
Smiles OC1=CC(=O)C1=O
InChI
InChI=1S/C4H2O3/c5-2-1-3(6)4(2)7/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H2O3
Molecular Weight 98.0
AlogP -0.9
Hydrogen Bond Acceptor 3.0
Polar Surface Area 51.21
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 31876-38-7
NORMAN SUSDAT
FDA SRS G5JMQ8SDF8