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(Q83064263)
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English
4H-1-Benzopyran-2-carboxylic acid, 6-methyl-4-oxo-, ethyl ester
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
232.073558864
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₂O₄
0 references
canonical SMILES
CCOC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)C
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Identifiers
InChI
InChI=1S/C13H12O4/c1-3-16-13(15)12-7-10(14)9-6-8(2)4-5-11(9)17-12/h4-7H,3H2,1-2H3
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InChIKey
OUPTVBRQLKDPCJ-UHFFFAOYSA-N
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CAS Registry Number
38322-65-5
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PubChem CID
217218
1 reference
matched by identifier from
InChIKey
InChIKey
OUPTVBRQLKDPCJ-UHFFFAOYSA-N
UniChem compound ID
484543
1 reference
stated in
UniChem
NMRShiftDB structure ID
30100284
1 reference
matched by identifier from
InChIKey
InChIKey
OUPTVBRQLKDPCJ-UHFFFAOYSA-N
DSSTox substance ID
DTXSID00191684
1 reference
matched by identifier from
InChIKey
InChIKey
OUPTVBRQLKDPCJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40114175
0 references
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