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(Q1923)
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instance of
chemical compound
0 references
SMILES (without stereochemistry)
C1=CC=C(C=C1)C(=O)NCC(=O)O
0 references
chemical formula
C₉H₉NO₃
1 reference
based on heuristic
inferred from SMILES
mass
179.173
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
1 reference
based on heuristic
inferred from SMILES
InChIKey
QIAFMBKCNZACKA-UHFFFAOYSA-N
0 references
PubChem CID
464
1 reference
based on heuristic
inferred from InChIKey
xenobiotic metabolism pathway
WP521
0 references