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(Q82103033)
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English
1-Pentyne, 3,4-dimethyl-
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#CC(C)C(C)C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C7H12/c1-5-7(4)6(2)3/h1,6-7H,2-4H3
0 references
InChIKey
JDQKSTIAVKXRSK-UHFFFAOYSA-N
0 references
CAS Registry Number
61064-08-2
0 references
PubChem CID
529277
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
JDQKSTIAVKXRSK-UHFFFAOYSA-N
UniChem compound ID
51271876
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40336138
1 reference
matched by identifier from
InChIKey
InChIKey
JDQKSTIAVKXRSK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90287227
0 references
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