TME
PROPANE
Created: | 2001-01-24 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 11 |
Chiral Atom Count | 0 |
Bond Count | 10 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | PROPANE |
Systematic Name (OpenEye OEToolkits) | propane |
Formula | C3 H8 |
Molecular Weight | 44.096 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | CCC |
SMILES | CACTVS | 3.341 | CCC |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC |
Canonical SMILES | CACTVS | 3.341 | CCC |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CCC |
InChI | InChI | 1.03 | InChI=1S/C3H8/c1-3-2/h3H2,1-2H3 |
InChIKey | InChI | 1.03 | ATUOYWHBWRKTHZ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 6334 |
ChEMBL | CHEMBL135416 |
ChEBI | CHEBI:32879 |
COD | 1511802, 1511801, 1511803, 1511806, 1511804, 1511805, 1511807 |