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(Q82660099)
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English
4-(3-Hydroxy-2-methyl[1,1'-biphenyl]-4-yl)butanoate
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
269.11831798391
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₁₇O₃⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1=C(C=CC(=C1O)CCCC(=O)[O-])C2=CC=CC=C2
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Identifiers
InChI
InChI=1S/C17H18O3/c1-12-15(13-6-3-2-4-7-13)11-10-14(17(12)20)8-5-9-16(18)19/h2-4,6-7,10-11,20H,5,8-9H2,1H3,(H,18,19)/p-1
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InChIKey
ROTXSRLCMIFKCO-UHFFFAOYSA-M
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CAS Registry Number
109684-03-9
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PubChem CID
57346665
1 reference
matched by identifier from
InChIKey
InChIKey
ROTXSRLCMIFKCO-UHFFFAOYSA-M
UniChem compound ID
67802804
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20721225
0 references
DSSTOX compound identifier
DTXCID40671970
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