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(Q82161742)
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English
2-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
306.15795718399994
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₂₂N₂O₄
0 references
canonical SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2C(=O)O
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Identifiers
InChI
InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18-10-8-17(9-11-18)13-7-5-4-6-12(13)14(19)20/h4-7H,8-11H2,1-3H3,(H,19,20)
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InChIKey
SSBZXKJSOFJQBW-UHFFFAOYSA-N
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CAS Registry Number
444582-90-5
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PubChem CID
2756776
1 reference
matched by identifier from
InChIKey
InChIKey
SSBZXKJSOFJQBW-UHFFFAOYSA-N
UniChem compound ID
23761691
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40373528
1 reference
matched by identifier from
InChIKey
InChIKey
SSBZXKJSOFJQBW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90324560
0 references
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