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(Q82507710)
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English
Methyl 1-(4-fluorophenyl)-4-oxocyclohexane-1-carboxylate
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
250.266
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₅FO₃
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canonical SMILES
COC(=O)C1(CCC(=O)CC1)C2=CC=C(C=C2)F
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Identifiers
InChI
InChI=1S/C14H15FO3/c1-18-13(17)14(8-6-12(16)7-9-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3
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InChIKey
NCQFIBJQOZPYOI-UHFFFAOYSA-N
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CAS Registry Number
80912-51-2
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PubChem CID
20540244
1 reference
matched by identifier from
InChIKey
InChIKey
NCQFIBJQOZPYOI-UHFFFAOYSA-N
UniChem compound ID
27048226
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20608502
1 reference
matched by identifier from
InChIKey
InChIKey
NCQFIBJQOZPYOI-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90559259
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