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(Q1930)
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instance of
group of stereoisomers
0 references
SMILES (without stereochemistry)
C1=CC=C(C=C1)C(COC(=O)N)C=O
0 references
chemical formula
C₁₀H₁₁NO₃
1 reference
based on heuristic
inferred from SMILES
mass
193.1996
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C10H11NO3/c11-10(13)14-7-9(6-12)8-4-2-1-3-5-8/h1-6,9H,7H2,(H2,11,13)
1 reference
based on heuristic
inferred from SMILES
InChIKey
XUCMSYZLYLONTH-UHFFFAOYSA-N
0 references
PubChem CID
21350391
1 reference
based on heuristic
inferred from InChIKey
xenobiotic metabolism pathway
WP2816
0 references