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(Q82269018)
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English
Bicyclo[3.1.1]hept-2-ene-2-carbonitrile, 6,6-dimethyl-, (1R,5S)-
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
pinane monoterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
147.104799416
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₀H₁₃N
0 references
canonical SMILES
CC1(C)C2CC=C(C#N)C1C2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1([C@H]2CC=C([C@@H]1C2)C#N)C
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Identifiers
InChI
InChI=1S/C10H13N/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9H,4-5H2,1-2H3/t8-,9-/m0/s1
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InChIKey
JDDKFAVLJGHFPR-IUCAKERBSA-N
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CAS Registry Number
156322-23-5
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PubChem CID
10953666
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UniChem compound ID
33294904
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20449518
1 reference
matched by identifier from
InChIKey
InChIKey
JDDKFAVLJGHFPR-IUCAKERBSA-N
DSSTOX compound identifier
DTXCID50400339
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