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(Q83128042)
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English
Bicyclo(4.2.0)oct-2-en-7-one, 8-chloro-3,6-dimethyl-, (1alpha,6alpha,8beta)-
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
184.065492716
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₀H₁₃ClO
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canonical SMILES
CC1=CC2C(Cl)C(=O)C2(C)CC1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1=C[C@@H]2[C@@H](C(=O)[C@@]2(CC1)C)Cl
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Identifiers
InChI
InChI=1S/C10H13ClO/c1-6-3-4-10(2)7(5-6)8(11)9(10)12/h5,7-8H,3-4H2,1-2H3/t7-,8+,10-/m1/s1
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InChIKey
BDYGFYNEBOPENF-KHQFGBGNSA-N
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CAS Registry Number
98874-86-3
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PubChem CID
179125
1 reference
matched by identifier from
InChIKey
InChIKey
BDYGFYNEBOPENF-KHQFGBGNSA-N
UniChem compound ID
66449361
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60243855
1 reference
matched by identifier from
InChIKey
InChIKey
BDYGFYNEBOPENF-KHQFGBGNSA-N
DSSTOX compound identifier
DTXCID90166346
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