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(3aR)-Hexahydro-1H-isoindole-1,3(2H)-dione
group of stereoisomers with the chemical formula C₈H₁₁NO₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
153.078978592
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₁NO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C1N=C(O)C2CCCCC12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C1NC(=O)[C@@H]2CCCCC12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C8H11NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h5-6H,1-4H2,(H,9,10,11)/t5-,6?/m1/s1
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InChIKey
WLDMPODMCFGWAA-LWOQYNTDSA-N
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CAS Registry Number
1002359-81-0
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PubChem CID
53484502
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
62403517
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20704058
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DSSTOX compound identifier
DTXCID60654806
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