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(Q82178905)
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English
4-Hydroxy-TEMPO benzoate
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
277.3593
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₃NO₃
0 references
canonical SMILES
CC1(CC(CC(N1[O])(C)C)OC(=O)C2=CC=CC=C2)C
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Identifiers
InChI
InChI=1S/C16H22NO3/c1-15(2)10-13(11-16(3,4)17(15)19)20-14(18)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3
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InChIKey
MJEDTBDGYVATPI-UHFFFAOYSA-N
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CAS Registry Number
3225-26-1
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PubChem CID
2847363
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ChEBI ID
180676
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UniChem compound ID
23574584
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20385861
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DSSTOX compound identifier
DTXCID30336884
0 references
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