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(Q82598996)
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English
Diethyl (prop-2-en-1-yl)[(~2~H_7_)propyl]propanedioate
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
249.19574640599998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₂₂O₄
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canonical SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C(CC=C)(C(=O)OCC)C(=O)OCC
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Identifiers
InChI
InChI=1S/C13H22O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h5H,1,6-10H2,2-4H3/i2D3,6D2,10D2
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InChIKey
KELSEWGOVCFKMN-GQEKAPENSA-N
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CAS Registry Number
1215738-07-0
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PubChem CID
46782791
1 reference
matched by identifier from
InChIKey
InChIKey
KELSEWGOVCFKMN-GQEKAPENSA-N
UniChem compound ID
23144392
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50676118
1 reference
matched by identifier from
InChIKey
InChIKey
KELSEWGOVCFKMN-GQEKAPENSA-N
DSSTOX compound identifier
DTXCID20626867
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