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(Q106902883)
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English
(1S,2R,6S,7R)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
166.026608672
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₈H₆O₄
1 reference
PubChem CID
513915
retrieved
19 May 2021
canonical SMILES
C1=CC2C3C(C1O2)C(=O)OC3=O
1 reference
PubChem CID
513915
retrieved
19 May 2021
isomeric SMILES
C1=C[C@H]2[C@H]3[C@@H]([C@@H]1O2)C(=O)OC3=O
1 reference
PubChem CID
513915
retrieved
19 May 2021
melting point
119
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
Identifiers
InChI
InChI=1S/C8H6O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h1-6H/t3-,4+,5-,6+
1 reference
PubChem CID
513915
retrieved
19 May 2021
InChIKey
QQYNRBAAQFZCLF-FBXFSONDSA-N
1 reference
PubChem CID
513915
retrieved
19 May 2021
CAS Registry Number
6118-51-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
513915
2 references
retrieved
19 May 2021
matched by identifier from
InChIKey
InChIKey
QQYNRBAAQFZCLF-FBXFSONDSA-N
SureChEMBL ID
SCHEMBL236915
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QQYNRBAAQFZCLF-FBXFSONDSA-N
UniChem compound ID
9085280
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701307070
1 reference
matched by identifier from
InChIKey
InChIKey
QQYNRBAAQFZCLF-FBXFSONDSA-N
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