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(Q83120726)
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English
Pantanoic acid, 5-(4-(2-methylpropyl)phenyl)-5-oxo-
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
248.1412445
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₃
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canonical SMILES
CC(C)CC1=CC=C(C=C1)C(=O)CCCC(=O)O
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Identifiers
InChI
InChI=1S/C15H20O3/c1-11(2)10-12-6-8-13(9-7-12)14(16)4-3-5-15(17)18/h6-9,11H,3-5,10H2,1-2H3,(H,17,18)
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InChIKey
FTNSWCSNSCCRNE-UHFFFAOYSA-N
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CAS Registry Number
91121-69-6
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PubChem CID
185074
1 reference
matched by identifier from
InChIKey
InChIKey
FTNSWCSNSCCRNE-UHFFFAOYSA-N
UniChem compound ID
50350699
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90238416
1 reference
matched by identifier from
InChIKey
InChIKey
FTNSWCSNSCCRNE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10160907
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