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(Q82238988)
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English
AC1OCD66
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
230.105527688
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₄N₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1NC(C(=O)O)Cc2c1[nH]c1ccccc21
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1N[C@@H](C(=O)O)Cc2c1[nH]c1ccccc21
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C13H14N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-5,7,11,14-15H,6H2,1H3,(H,16,17)/t7?,11-/m1/s1
0 references
InChIKey
ZUPHXNBLQCSEIA-PLNQYNMKSA-N
0 references
CAS Registry Number
827304-63-2
0 references
PubChem CID
6916038
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
45161986
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70426016
0 references
DSSTOX compound identifier
DTXCID20376850
0 references
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