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(2E)-3-methylpent-2-ene
chemical compound
(E)-3-methylpent-2-ene
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
hexene
0 references
mass
84.093900384
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₆H₁₂
0 references
canonical SMILES
C(=C(C)CC)C
0 references
isomeric SMILES
CC/C(=C/C)/C
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Identifiers
InChI
InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4+
0 references
InChIKey
BEQGRRJLJLVQAQ-GQCTYLIASA-N
0 references
CAS Registry Number
616-12-6
1 reference
InChIKey
BEQGRRJLJLVQAQ-GQCTYLIASA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=616-12-6
PubChem CID
642661
1 reference
matched by identifier from
InChIKey
InChIKey
BEQGRRJLJLVQAQ-GQCTYLIASA-N
ChEBI ID
229294
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3/b6-4+
UniChem compound ID
8466045
1 reference
stated in
UniChem
NMRShiftDB structure ID
20027359
1 reference
matched by identifier from
InChIKey
InChIKey
BEQGRRJLJLVQAQ-GQCTYLIASA-N
DSSTox substance ID
DTXSID00897275
1 reference
matched by identifier from
InChIKey
InChIKey
BEQGRRJLJLVQAQ-GQCTYLIASA-N
DSSTOX compound identifier
DTXCID90212554
0 references
NSC number
73912
0 references
Nikkaji ID
J94.886A
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UNII
K2KS6SX7MM
1 reference
matched by identifier from
InChIKey
InChIKey
BEQGRRJLJLVQAQ-GQCTYLIASA-N
J-GLOBAL ID
200907000360484939
0 references
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