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English
(1S)-4-Methylbicyclo[2.2.2]oct-5-en-2-one
group of stereoisomers with the chemical formula C₉H₁₂O
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
136.088815004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₁₂O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC12C=CC(CC1)C(=O)C2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC12C=C[C@H](CC1)C(=O)C2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C9H12O/c1-9-4-2-7(3-5-9)8(10)6-9/h2,4,7H,3,5-6H2,1H3/t7-,9?/m1/s1
0 references
InChIKey
ZFFCBWOUNBBXFH-YOXFSPIKSA-N
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CAS Registry Number
83637-35-8
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PubChem CID
71407208
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
60894643
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60827795
0 references
DSSTOX compound identifier
DTXCID20778537
0 references
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