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(Q82079580)
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NSC378230
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
164.060407336
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₇H₁₃ClO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1CC(C)OC(CCl)O1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H]1C[C@H](C)OC(CCl)O1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C7H13ClO2/c1-5-3-6(2)10-7(4-8)9-5/h5-7H,3-4H2,1-2H3/t5-,6+,7?
0 references
InChIKey
LFQFLCODYLKNOZ-MEKDEQNOSA-N
0 references
CAS Registry Number
52053-17-5
0 references
PubChem CID
342240
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
55666659
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60321586
0 references
DSSTOX compound identifier
DTXCID60272706
0 references
NSC number
378230
0 references
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