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(Q82983882)
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English
2-(2,3,5,6-Tetramethylphenoxy)butanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
236.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₀O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(Oc1c(C)c(C)cc(C)c1C)C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H20O3/c1-6-12(14(15)16)17-13-10(4)8(2)7-9(3)11(13)5/h7,12H,6H2,1-5H3,(H,15,16)
0 references
InChIKey
FNGSDSOBXYHUFK-UHFFFAOYSA-N
0 references
CAS Registry Number
72462-84-1
0 references
PubChem CID
51586
1 reference
matched by identifier from
InChIKey
InChIKey
FNGSDSOBXYHUFK-UHFFFAOYSA-N
DSSTox substance ID
DTXSID10993272
1 reference
matched by identifier from
InChIKey
InChIKey
FNGSDSOBXYHUFK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID301420323
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