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English
Methyl 3-[(1R)-1-methyl-2-oxocyclohexyl]propanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
198.125594436
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₁H₁₈O₃
0 references
canonical SMILES
COC(=O)CCC1(C)CCCCC1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@]1(CCCCC1=O)CCC(=O)OC
0 references
Identifiers
InChI
InChI=1S/C11H18O3/c1-11(8-6-10(13)14-2)7-4-3-5-9(11)12/h3-8H2,1-2H3/t11-/m1/s1
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InChIKey
XGGLSYONGRFBDO-LLVKDONJSA-N
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CAS Registry Number
94089-47-1
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PubChem CID
853438
1 reference
matched by identifier from
InChIKey
InChIKey
XGGLSYONGRFBDO-LLVKDONJSA-N
UniChem compound ID
6674318
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20357427
1 reference
matched by identifier from
InChIKey
InChIKey
XGGLSYONGRFBDO-LLVKDONJSA-N
DSSTOX compound identifier
DTXCID90308486
0 references
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