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(Q82376770)
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English
Methyl 2-oxo-5,6,7,8-tetrahydro-2H-1-benzopyran-3-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
208.073558864
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₂O₄
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canonical SMILES
COC(=O)C1=CC2=C(CCCC2)OC1=O
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Identifiers
InChI
InChI=1S/C11H12O4/c1-14-10(12)8-6-7-4-2-3-5-9(7)15-11(8)13/h6H,2-5H2,1H3
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InChIKey
CRELQANCNFEVAG-UHFFFAOYSA-N
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CAS Registry Number
85531-80-2
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PubChem CID
13031020
1 reference
matched by identifier from
InChIKey
InChIKey
CRELQANCNFEVAG-UHFFFAOYSA-N
UniChem compound ID
61698748
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00515725
1 reference
matched by identifier from
InChIKey
InChIKey
CRELQANCNFEVAG-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10466532
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