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(3S)-hexan-3-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-hexanol
1 reference
based on heuristic
inferred from InChIKey
mass
102.104465068
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(3R)-hexan-3-ol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₆H₁₄O
0 references
canonical SMILES
CCCC(O)CC
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC[C@H](CC)O
0 references
Identifiers
InChI
InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3/t6-/m0/s1
0 references
InChIKey
ZOCHHNOQQHDWHG-LURJTMIESA-N
0 references
CAS Registry Number
6210-51-1
0 references
PubChem CID
638098
1 reference
matched by identifier from
InChIKey
InChIKey
ZOCHHNOQQHDWHG-LURJTMIESA-N
UniChem compound ID
2849815
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40348539
1 reference
matched by identifier from
InChIKey
InChIKey
ZOCHHNOQQHDWHG-LURJTMIESA-N
DSSTOX compound identifier
DTXCID20299611
0 references
LIPID MAPS ID
LMFA05000463
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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