ST031677
(Q82239639)
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chemical compound
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Description
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English
ST031677
chemical compound
Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
177.1153641
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₅NO
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(c1ccccc1)N1CC1CO
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H](c1ccccc1)N1C[C@H]1CO
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C11H15NO/c1-9(12-7-11(12)8-13)10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3/t9-,11+,12?/m1/s1
0 references
InChIKey
BMEHDCBKAUDFBH-BVAQLPTGSA-N
0 references
CAS Registry Number
173143-73-2
0 references
PubChem CID
7016434
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
24008857
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80426840
1 reference
matched by identifier from
InChIKey
InChIKey
BMEHDCBKAUDFBH-BVAQLPTGSA-N
DSSTOX compound identifier
DTXCID10377674
0 references
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