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(Q82014085)
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English
2-methyl-4-nitrohexan-3-ol
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
161.10519334
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₇H₁₅NO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(C(O)C(C)C)[N+](=O)[O-]
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C7H15NO3/c1-4-6(8(10)11)7(9)5(2)3/h5-7,9H,4H2,1-3H3
0 references
InChIKey
WTRFXBIPCREZQA-UHFFFAOYSA-N
0 references
CAS Registry Number
20570-71-2
0 references
PubChem CID
226828
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
WTRFXBIPCREZQA-UHFFFAOYSA-N
UniChem compound ID
25639512
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80280621
1 reference
matched by identifier from
InChIKey
InChIKey
WTRFXBIPCREZQA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40231775
0 references
NSC number
17690
0 references
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