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(Q82270707)
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English
Methyl 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
204.078644244
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₂O₃
0 references
canonical SMILES
COC(=O)C1=CC2=C(CCCC2=O)C=C1
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Identifiers
InChI
InChI=1S/C12H12O3/c1-15-12(14)9-6-5-8-3-2-4-11(13)10(8)7-9/h5-7H,2-4H2,1H3
0 references
InChIKey
CIZUNRVGSYFMQM-UHFFFAOYSA-N
0 references
CAS Registry Number
116047-26-8
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PubChem CID
10987358
1 reference
matched by identifier from
InChIKey
InChIKey
CIZUNRVGSYFMQM-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL354166
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CIZUNRVGSYFMQM-UHFFFAOYSA-N
UniChem compound ID
25970479
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10450875
1 reference
matched by identifier from
InChIKey
InChIKey
CIZUNRVGSYFMQM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60401695
0 references
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