F15
PENTADECANOIC ACID
Created: | 2004-11-16 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 47 |
Chiral Atom Count | 0 |
Bond Count | 46 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | PENTADECANOIC ACID |
Systematic Name (OpenEye OEToolkits) | pentadecanoic acid |
Formula | C15 H30 O2 |
Molecular Weight | 242.397 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CCCCCCCCCCCCCC |
SMILES | CACTVS | 3.341 | CCCCCCCCCCCCCCC(O)=O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCC(=O)O |
Canonical SMILES | CACTVS | 3.341 | CCCCCCCCCCCCCCC(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17) |
InChIKey | InChI | 1.03 | WQEPLUUGTLDZJY-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 13849 |
ChEMBL | CHEMBL460025 |
ChEBI | CHEBI:42504 |
CCDC/CSD | ZZZDDP02, ZZZDDP01, ZZZDDP05 |
COD | 7050155 |