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(Q82349325)
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English
2-(Phenylacetyl)cyclohexane-1,3-dione
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
230.094294308
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₁₄O₃
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canonical SMILES
C1CC(=O)C(C(=O)C1)C(=O)CC2=CC=CC=C2
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Identifiers
InChI
InChI=1S/C14H14O3/c15-11-7-4-8-12(16)14(11)13(17)9-10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2
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InChIKey
CLIATUKUBXTZRR-UHFFFAOYSA-N
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CAS Registry Number
53601-31-3
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PubChem CID
12454374
1 reference
matched by identifier from
InChIKey
InChIKey
CLIATUKUBXTZRR-UHFFFAOYSA-N
UniChem compound ID
47775861
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70498950
1 reference
matched by identifier from
InChIKey
InChIKey
CLIATUKUBXTZRR-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70449760
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