Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P549RW6459
EPA CompTox DTXSID4073966

Structure

InChI Key VADUDTKCGJKNDY-UHFFFAOYSA-N
Smiles CC(=C)CC(C)=O
InChI
InChI=1S/C6H10O/c1-5(2)4-6(3)7/h1,4H2,2-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O1
Molecular Weight 98.07
AlogP 1.54
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 3744-02-3
NORMAN SUSDAT
FDA SRS P549RW6459