Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UWC1LS4V3I
EPA CompTox DTXSID0052833

Structure

InChI Key SPTHHTGLGVZZRH-UHFFFAOYSA-O
Smiles C[As+](C)(C)CC([O-])=O;C[As+](C)(C)CC(=O)[O-]
InChI
InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12As1O2
Molecular Weight 179.0
AlogP 1.41
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 37.3
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 64436-13-1
NORMAN SUSDAT
FDA SRS UWC1LS4V3I