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(Q82030926)
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English
2,5-bis[(2s)-2-methylaziridin-1-yl]cyclohexa-2,5-diene-1,4-dione
group of stereoisomers with the chemical formula C₁₂H₁₄N₂O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
218.105527688
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₄N₂O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1CN1C1=CC(=O)C(N2CC2C)=CC1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H]1CN1C1=CC(=O)C(N2C[C@@H]2C)=CC1=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H14N2O2/c1-7-5-13(7)9-3-12(16)10(4-11(9)15)14-6-8(14)2/h3-4,7-8H,5-6H2,1-2H3/t7-,8-,13?,14?/m0/s1
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InChIKey
JVACXZNHLRSLFZ-CGNUNGTMSA-N
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CAS Registry Number
23650-98-8
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PubChem CID
256652
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
60623680
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00292569
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DSSTOX compound identifier
DTXCID20243710
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NSC number
83706
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