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(Q82291827)
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English
Cyclohexanone, 2-hydroxy-4-methyl-, (2S)-
group of stereoisomers with the chemical formula C₇H₁₂O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
128.083729624
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₇H₁₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1CCC(=O)C(O)C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1CCC(=O)[C@@H](O)C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C7H12O2/c1-5-2-3-6(8)7(9)4-5/h5,7,9H,2-4H2,1H3/t5?,7-/m0/s1
0 references
InChIKey
UVYUXEAOOPEVQO-MSZQBOFLSA-N
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CAS Registry Number
836597-86-5
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PubChem CID
11434956
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
32447542
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50465680
0 references
DSSTOX compound identifier
DTXCID90416499
0 references
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