TME

PROPANE

Created: 2001-01-24
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count11
Chiral Atom Count0
Bond Count10
Aromatic Bond Count0
2D diagram of TME

Chemical Component Summary

NamePROPANE
Systematic Name (OpenEye OEToolkits)propane
FormulaC3 H8
Molecular Weight44.096
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04CCC
SMILESCACTVS3.341CCC
SMILESOpenEye OEToolkits1.5.0CCC
Canonical SMILESCACTVS3.341 CCC
Canonical SMILESOpenEye OEToolkits1.5.0 CCC
InChIInChI1.03 InChI=1S/C3H8/c1-3-2/h3H2,1-2H3
InChIKeyInChI1.03 ATUOYWHBWRKTHZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 6334
ChEMBL CHEMBL135416
ChEBI CHEBI:32879
COD 1511802, 1511801, 1511803, 1511806, 1511804, 1511805, 1511807