Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4JZP7XJN3O
EPA CompTox DTXSID90862816

Structure

InChI Key SXQFCVDSOLSHOQ-UHFFFAOYSA-N
Smiles CC(C(=O)N)O
InChI
InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7N1O2
Molecular Weight 89.05
AlogP -0.1
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 64.31
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 2043-43-8
NORMAN SUSDAT
FDA SRS 4JZP7XJN3O
PubChem 94220
ChemSpider 85030.0