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(Q82041912)
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Q82981772
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English
2-(hydroxy(4-nitrophenyl)methyl)cyclohexanone
chemical compound
2-[Hydroxy(4-nitrophenyl)methyl]cyclohexan-1-one
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
249.10010796
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₅NO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C1CCCCC1C(O)c1ccc([N+](=O)[O-])cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H15NO4/c15-12-4-2-1-3-11(12)13(16)9-5-7-10(8-6-9)14(17)18/h5-8,11,13,16H,1-4H2
0 references
InChIKey
LWDGESCTOIIBJJ-UHFFFAOYSA-N
0 references
CAS Registry Number
71444-29-6
0 references
71444-30-9
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PubChem CID
279739
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
359604
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60299478
0 references
DTXSID40991842
0 references
DSSTOX compound identifier
DTXCID50250614
0 references
DTXCID80953803
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NSC number
131013
0 references
131009
0 references
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