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(Q82103029)
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English
1-Hexyne, 4-methyl
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
96.093900384
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₇H₁₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C#CCC(C)CC
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C7H12/c1-4-6-7(3)5-2/h1,7H,5-6H2,2-3H3
0 references
InChIKey
YFZSGTDENCTWGW-UHFFFAOYSA-N
0 references
CAS Registry Number
52713-81-2
0 references
PubChem CID
529274
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
YFZSGTDENCTWGW-UHFFFAOYSA-N
UniChem compound ID
25249735
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20336136
1 reference
matched by identifier from
InChIKey
InChIKey
YFZSGTDENCTWGW-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70287225
0 references
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