Keyword(s): Human Neurotoxin
Molecule Category Free-form
EPA CompTox DTXSID80163829

Structure

InChI Key FYHXNYLLNIKZMR-UHFFFAOYSA-N
Smiles [Ca].OC(O)=O
InChI
InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);

Physicochemical Descriptors

Property Name Value
Molecular Formula CH2CaO3
Molecular Weight 101.96
AlogP -0.16
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 57.53
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 14791-73-2
NORMAN SUSDAT