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(Q115947236)
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English
2,3-Octanediol
group of stereoisomers with the chemical formula C₈H₁₈O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkanediols
0 references
mass
146.130679816
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₈O₂
0 references
canonical SMILES
OC(C)C(O)CCCCC
0 references
found in taxon
Nicotiana tabacum
1 reference
stated in
A Chemical Study of Burley Tobacco Flavour (Nicotiana tabacum L.). I. Volatile to medium-volatile constituents (b.p. ≦ 84°/0.001 Torr
Identifiers
InChI
InChI=1S/C8H18O2/c1-3-4-5-6-8(10)7(2)9/h7-10H,3-6H2,1-2H3
0 references
InChIKey
XMTUJCWABCYSIV-UHFFFAOYSA-N
0 references
PubChem CID
242928
1 reference
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
SureChEMBL ID
SCHEMBL428373
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XMTUJCWABCYSIV-UHFFFAOYSA-N
UniChem compound ID
25794967
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10864953
1 reference
matched by identifier from
InChIKey
InChIKey
XMTUJCWABCYSIV-UHFFFAOYSA-N
KNApSAcK ID
C00060734
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XMTUJCWABCYSIV-UHFFFAOYSA-N
J-GLOBAL ID
200907091973559139
0 references
Nikkaji ID
J103.152J
0 references
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