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(Q82510432)
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English
(1R)-8-Methyl-8-azabicyclo[3.2.1]oct-3-ene-2-carboxylic acid
group of stereoisomers with the chemical formula C₉H₁₃NO₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
167.094628656
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₃NO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CN1C2C=CC(C(=O)O)C1CC2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN1C2C=CC(C(=O)O)[C@H]1CC2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H13NO2/c1-10-6-2-4-7(9(11)12)8(10)5-3-6/h2,4,6-8H,3,5H2,1H3,(H,11,12)/t6?,7?,8-/m1/s1
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InChIKey
BBBNTRDOFVZKBT-KAVNDROISA-N
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CAS Registry Number
786577-75-1
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PubChem CID
21118680
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
48474629
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30610878
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DSSTOX compound identifier
DTXCID70561633
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