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(Q81989162)
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English
Decanoic acid, 2-octyl-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
284.4779
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₃₆O₂
0 references
canonical SMILES
CCCCCCCCC(CCCCCCCC)C(=O)O
0 references
Identifiers
InChI
InChI=1S/C18H36O2/c1-3-5-7-9-11-13-15-17(18(19)20)16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,19,20)
0 references
InChIKey
OYYXZGFIZTYYRB-UHFFFAOYSA-N
0 references
CAS Registry Number
619-39-6
1 reference
stated in
CAS Common Chemistry
retrieved
6 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=619-39-6
InChIKey
OYYXZGFIZTYYRB-UHFFFAOYSA-N
PubChem CID
69271
1 reference
matched by identifier from
InChIKey
InChIKey
OYYXZGFIZTYYRB-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL987456
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OYYXZGFIZTYYRB-UHFFFAOYSA-N
UniChem compound ID
23690471
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID2060701
1 reference
matched by identifier from
InChIKey
InChIKey
OYYXZGFIZTYYRB-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID6043173
0 references
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