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(Q82434771)
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English
(5R)-5-(3-Chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
menthane monoterpenoids
1 reference
based on heuristic
inferred from SMILES
mass
184.065492716
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₀H₁₃ClO
0 references
canonical SMILES
C=C(CCl)C1CC=C(C)C(=O)C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=CC[C@H](CC1=O)C(=C)CCl
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Identifiers
InChI
InChI=1S/C10H13ClO/c1-7-3-4-9(5-10(7)12)8(2)6-11/h3,9H,2,4-6H2,1H3/t9-/m1/s1
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InChIKey
AVURFBIZEPTIQC-SECBINFHSA-N
0 references
CAS Registry Number
86847-23-6
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PubChem CID
14001191
1 reference
matched by identifier from
InChIKey
InChIKey
AVURFBIZEPTIQC-SECBINFHSA-N
UniChem compound ID
67746152
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90553994
1 reference
matched by identifier from
InChIKey
InChIKey
AVURFBIZEPTIQC-SECBINFHSA-N
DSSTOX compound identifier
DTXCID20504777
0 references
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