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(Q82526933)
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English
7-Oxo-7-(thiophen-2-yl)heptanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
226.066365308
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₁H₁₄O₃S
0 references
canonical SMILES
C1=CSC(=C1)C(=O)CCCCCC(=O)O
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Identifiers
InChI
InChI=1S/C11H14O3S/c12-9(10-6-4-8-15-10)5-2-1-3-7-11(13)14/h4,6,8H,1-3,5,7H2,(H,13,14)
0 references
InChIKey
ODSQQQAMZUCVPO-UHFFFAOYSA-N
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CAS Registry Number
463301-90-8
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PubChem CID
22141966
1 reference
matched by identifier from
InChIKey
InChIKey
ODSQQQAMZUCVPO-UHFFFAOYSA-N
UniChem compound ID
23411632
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50622852
1 reference
matched by identifier from
InChIKey
InChIKey
ODSQQQAMZUCVPO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80573606
0 references
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