Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ED35MV6UBR
EPA CompTox DTXSID20204962

Structure

InChI Key ZFCUTFMDALQSSY-UHFFFAOYSA-N
Smiles CC(C)OCO
InChI
InChI=1S/C4H10O2/c1-4(2)6-3-5/h4-5H,3H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10O2
Molecular Weight 90.07
AlogP 0.36
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 29.46
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 56395-05-2
NORMAN SUSDAT
FDA SRS ED35MV6UBR
PubChem 91833
ChemSpider 82924.0