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(Q82677099)
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English
(4S,6S)-4-Hydroxy-2,2,6-trimethylcyclohexan-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
156.115029752
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Cyclohexanone, 4-hydroxy-2,2,6-trimethyl-, (4S,6R)-
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4R,6R)-hydroxy-2,2,6-trimethylcyclohexanone
1 reference
based on heuristic
inferred from InChI
chemical formula
C₉H₁₆O₂
0 references
canonical SMILES
CC1CC(O)CC(C)(C)C1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]1C[C@@H](CC(C1=O)(C)C)O
0 references
Identifiers
InChI
InChI=1S/C9H16O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6-7,10H,4-5H2,1-3H3/t6-,7-/m0/s1
0 references
InChIKey
CSPVUHYZUZZRGF-BQBZGAKWSA-N
0 references
CAS Registry Number
82977-53-5
0 references
PubChem CID
60090777
1 reference
matched by identifier from
InChIKey
InChIKey
CSPVUHYZUZZRGF-BQBZGAKWSA-N
UniChem compound ID
46473882
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80733607
1 reference
matched by identifier from
InChIKey
InChIKey
CSPVUHYZUZZRGF-BQBZGAKWSA-N
DSSTOX compound identifier
DTXCID70684351
0 references
UNII
8ZPS76W5KM
1 reference
matched by identifier from
InChIKey
InChIKey
CSPVUHYZUZZRGF-BQBZGAKWSA-N
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