6FH
(6~{S})-6-methyloctanoic acid
Created: | 2016-04-13 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 29 |
Chiral Atom Count | 1 |
Bond Count | 28 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | (6~{S})-6-methyloctanoic acid |
Systematic Name (OpenEye OEToolkits) | (6~{S})-6-methyloctanoic acid |
Formula | C9 H18 O2 |
Molecular Weight | 158.238 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC[CH](C)CCCCC(O)=O |
SMILES | OpenEye OEToolkits | 2.0.5 | CCC(C)CCCCC(=O)O |
Canonical SMILES | CACTVS | 3.385 | CC[C@H](C)CCCCC(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.5 | CC[C@H](C)CCCCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C9H18O2/c1-3-8(2)6-4-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)/t8-/m0/s1 |
InChIKey | InChI | 1.03 | GPOPHQSTNHUENT-QMMMGPOBSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 5312346 |