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(Q82295330)
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English
(3aR,7R,7aS)-7-Hydroxy-2-phenyltetrahydro-2H,6H-[1,3]dioxolo[4,5-c]pyran-6-one (non-preferred name)
group of stereoisomers with the chemical formula C₁₂H₁₂O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
236.068473484
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₂O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C1OCC2OC(c3ccccc3)OC2C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C1OC[C@H]2OC(c3ccccc3)O[C@H]2[C@H]1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H12O5/c13-9-10-8(6-15-11(9)14)16-12(17-10)7-4-2-1-3-5-7/h1-5,8-10,12-13H,6H2/t8-,9-,10-,12?/m1/s1
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InChIKey
XKMPMXJZFPRETR-HAFPMESGSA-N
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CAS Registry Number
20603-45-6
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PubChem CID
11535998
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
34139203
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00468207
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DSSTOX compound identifier
DTXCID90419026
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