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
Polar Surface Area 57.53
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 14791-73-2
NORMAN SUSDAT