2,5-cyclohexadien-1-one, 4,4-dimethyl- (Q82108469)

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chemical compound

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Language	Label	Description	Also known as
English	2,5-cyclohexadien-1-one, 4,4-dimethyl-	chemical compound

Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

122.07316494 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₈H₁₀O

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canonical SMILES

CC1(C=CC(=O)C=C1)C

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Identifiers

InChI

InChI=1S/C8H10O/c1-8(2)5-3-7(9)4-6-8/h3-6H,1-2H3

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InChIKey

YKDJBIPPVNMAGR-UHFFFAOYSA-N

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CAS Registry Number

1073-14-9

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ChemSpider ID

483656

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PubChem CID

556333

1 reference

matched by identifier from

InChIKey

InChIKey

YKDJBIPPVNMAGR-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL1100011

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

YKDJBIPPVNMAGR-UHFFFAOYSA-N

UniChem compound ID

27082439

1 reference

stated in

UniChem

NMRShiftDB structure ID

10015791

1 reference

matched by identifier from

InChIKey

InChIKey

YKDJBIPPVNMAGR-UHFFFAOYSA-N

DSSTox substance ID

DTXSID10339459

1 reference

matched by identifier from

InChIKey

InChIKey

YKDJBIPPVNMAGR-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID00290540

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