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(Q75187061)
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English
No label defined
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
130.135765196
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(2S)-2-ethylhexan-1-ol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₁₈O
0 references
canonical SMILES
CCCCC(CC)CO
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCC[C@@H](CC)CO
0 references
Identifiers
InChI
InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3/t8-/m1/s1
0 references
InChIKey
YIWUKEYIRIRTPP-MRVPVSSYSA-N
0 references
CAS Registry Number
50373-29-0
0 references
PubChem CID
6991979
1 reference
matched by identifier from
InChIKey
InChIKey
YIWUKEYIRIRTPP-MRVPVSSYSA-N
UniChem compound ID
7162344
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50426296
1 reference
matched by identifier from
InChIKey
InChIKey
YIWUKEYIRIRTPP-MRVPVSSYSA-N
DSSTOX compound identifier
DTXCID70377130
0 references
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