PDO

?

Summary

Name:1,3-PROPANDIOL
Formula:C3 H8 O2
Formal charge:0
Molecular weight:76.094 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.02propane-1,3-diol
OpenEye OEToolkits1.6.1propane-1,3-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02OCCCO
SMILES_CANONICALCACTVS3.352OCCCO
SMILESCACTVS3.352OCCCO
SMILES_CANONICALOpenEye OEToolkits1.7.0C(CO)CO
SMILESOpenEye OEToolkits1.7.0C(CO)CO
InChIInChI1.03InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
InChIKeyInChI1.03YPFDHNVEDLHUCE-UHFFFAOYSA-N
169117
PDB entries from 2020-09-23