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English
CTK0I7202
group of stereoisomers with the chemical formula C₆H₈O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
128.047344116
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₆H₈O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1OC(O)C=CC1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]1OC(O)C=CC1=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C6H8O3/c1-4-5(7)2-3-6(8)9-4/h2-4,6,8H,1H3/t4-,6?/m1/s1
0 references
InChIKey
PLYSJDAYJMFETG-NJXYFUOMSA-N
0 references
CAS Registry Number
247244-64-0
0 references
PubChem CID
11029859
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
32559848
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70452431
0 references
DSSTOX compound identifier
DTXCID60403250
0 references
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