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(Q82354805)
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English
Hexan-3-yl acetate
chemical compound
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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
biogenic acyclic ester
0 references
mass
144.115029752
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₆O₂
0 references
canonical SMILES
O=C(OC(CC)CCC)C
0 references
found in taxon
Elsholtzia fruticosa
1 reference
stated in
Chemical Varieties of Essential Oils from Elsholtzia polystachya from Two Different Locations in India1
Identifiers
InChI
InChI=1S/C8H16O2/c1-4-6-8(5-2)10-7(3)9/h8H,4-6H2,1-3H3
0 references
InChIKey
RTIAQOLKVLAEAU-UHFFFAOYSA-N
0 references
CAS Registry Number
40780-64-1
0 references
PubChem CID
12545759
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
RTIAQOLKVLAEAU-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL282321
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RTIAQOLKVLAEAU-UHFFFAOYSA-N
UniChem compound ID
26665394
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70502041
1 reference
matched by identifier from
InChIKey
InChIKey
RTIAQOLKVLAEAU-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30452851
0 references
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