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(Q82150943)
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English
AC1M1GDQ
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
201.055656304
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₉H₁₂ClNO₂
0 references
canonical SMILES
NCC(O)COc1ccc(Cl)cc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=CC(=CC=C1OC[C@H](CN)O)Cl
0 references
Identifiers
InChI
InChI=1S/C9H12ClNO2/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,12H,5-6,11H2/t8-/m0/s1
0 references
InChIKey
WCTVXSRNGUMJKC-QMMMGPOBSA-N
0 references
CAS Registry Number
176700-45-1
0 references
PubChem CID
2049238
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
WCTVXSRNGUMJKC-QMMMGPOBSA-N
UniChem compound ID
32179757
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40365908
1 reference
matched by identifier from
InChIKey
InChIKey
WCTVXSRNGUMJKC-QMMMGPOBSA-N
DSSTOX compound identifier
DTXCID70316948
0 references
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