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Revision as of 17:09, 1 August 2024 by
Egonw
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Statements
instance of
type of a chemical entity
0 references
SMILES (without stereochemistry)
CC(=O)OC1=CC=CC=C1C(=O)O
0 references
chemical formula
C₉H₈O₄
1 reference
based on heuristic
inferred from SMILES
mass
180.1578
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
1 reference
based on heuristic
inferred from SMILES
InChIKey
BSYNRYMUTXBXSQ-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from SMILES
PubChem CID
2244
1 reference
based on heuristic
inferred from InChIKey
AOP-Wiki Stressor ID
432
0 references