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(Q82086950)
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English
Diprop-2-yn-1-yl benzene-1,4-dicarboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
242.0579088
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₁₀O₄
0 references
canonical SMILES
C#CCOC(=O)C1=CC=C(C=C1)C(=O)OCC#C
0 references
Identifiers
InChI
InChI=1S/C14H10O4/c1-3-9-17-13(15)11-5-7-12(8-6-11)14(16)18-10-4-2/h1-2,5-8H,9-10H2
0 references
InChIKey
HZTNYDWTDTYXQC-UHFFFAOYSA-N
0 references
CAS Registry Number
4631-69-0
0 references
PubChem CID
352136
1 reference
matched by identifier from
InChIKey
InChIKey
HZTNYDWTDTYXQC-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL176369
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HZTNYDWTDTYXQC-UHFFFAOYSA-N
UniChem compound ID
4693780
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70326183
1 reference
matched by identifier from
InChIKey
InChIKey
HZTNYDWTDTYXQC-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20277297
0 references
NSC number
525144
0 references
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