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(Q82264949)
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English
(3S)-2-Azabicyclo[2.2.2]octane-3-carboxylic acid
group of stereoisomers with the chemical formula C₈H₁₃NO₂
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
155.094628656
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₃NO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(O)C1NC2CCC1CC2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C(O)[C@H]1NC2CCC1CC2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C8H13NO2/c10-8(11)7-5-1-3-6(9-7)4-2-5/h5-7,9H,1-4H2,(H,10,11)/t5?,6?,7-/m0/s1
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InChIKey
YDIUZWIFYIATRZ-AHXFUIDQSA-N
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CAS Registry Number
109583-12-2
1 reference
InChIKey
YDIUZWIFYIATRZ-AHXFUIDQSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=109583-12-2
PubChem CID
10866570
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
42149735
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70446330
0 references
DSSTOX compound identifier
DTXCID70397151
0 references
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