Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QNC2NB53MJ
EPA CompTox DTXSID30878754

Structure

InChI Key BTSIZIIPFNVMHF-ARJAWSKDSA-N
Smiles CCC=C/CO
InChI
InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3-

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10O1
Molecular Weight 86.07
AlogP 0.94
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 1576-95-0
NORMAN SUSDAT
FDA SRS QNC2NB53MJ
PubChem 5364919
ChemSpider 4517028.0