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

Structure

InChI Key AIKGMUZHUHXBCF-GQCTYLIASA-N
Smiles C/C=C/C#CC=C
InChI
InChI=1S/C7H8/c1-3-5-7-6-4-2/h3-4,6H,1H2,2H3/b6-4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H8
Molecular Weight 92.06
AlogP 1.75
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 3511-27-1
NORMAN SUSDAT