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English
(1S)-5-(Hydroxymethyl)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one
group of stereoisomers with the chemical formula C₇H₈O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
156.042258736
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₇H₈O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C1C=CC2COC1(CO)O2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C1C=C[C@H]2COC1(CO)O2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C7H8O4/c8-4-7-6(9)2-1-5(11-7)3-10-7/h1-2,5,8H,3-4H2/t5-,7?/m0/s1
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InChIKey
UGWMCNIQOQRPIH-DSEUIKHZSA-N
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CAS Registry Number
63488-02-8
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PubChem CID
71372584
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
62706863
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10795450
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DSSTOX compound identifier
DTXCID00746193
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