quinuclidin-3-one (Q72506084)

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chemical compound

• 1-azabicyclo[2.2.2]octan-3-one
• 3-quinuclidinone
• 3-Quinuclidone

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Language	Label	Description	Also known as
English	quinuclidin-3-one	chemical compound	1-azabicyclo[2.2.2]octan-3-one 3-quinuclidinone 3-Quinuclidone

Statements

instance of

type of chemical entity

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subclass of

quinuclidone

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chemical structure

Chinuclidinon Formel.svg
68 × 79; 11 KB

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mass

125.084063972 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₇H₁₁NO

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canonical SMILES

C1CN2CCC1C(=O)C2

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Identifiers

InChI

InChI=1S/C7H11NO/c9-7-5-8-3-1-6(7)2-4-8/h6H,1-5H2

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InChIKey

ZKMZPXWMMSBLNO-UHFFFAOYSA-N

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CAS Registry Number

3731-38-2

1 reference

InChIKey

ZKMZPXWMMSBLNO-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=3731-38-2

ChemSpider ID

18381

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PubChem CID

19507

1 reference

matched by identifier from

InChIKey

InChIKey

ZKMZPXWMMSBLNO-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL161762

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

ZKMZPXWMMSBLNO-UHFFFAOYSA-N

UniChem compound ID

232721

1 reference

stated in

UniChem

NMRShiftDB structure ID

10024293

1 reference

matched by identifier from

InChIKey

InChIKey

ZKMZPXWMMSBLNO-UHFFFAOYSA-N

DSSTox substance ID

DTXSID0063151

1 reference

matched by identifier from

InChIKey

InChIKey

ZKMZPXWMMSBLNO-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID9039313

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NSC number

168448

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EC number

223-087-9

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ECHA Substance Infocard ID

100.020.989

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.020.989

retrieved

29 December 2019

title

Quinuclidin-3-one (English)

quotation

CAS no.: 3731-38-2 (English)

UNII

P4VF4G5PTA

1 reference

matched by identifier from

InChIKey

InChIKey

ZKMZPXWMMSBLNO-UHFFFAOYSA-N

Google Knowledge Graph ID

/g/11qzcpbhdq

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Sitelinks

Wikipedia(2 entries)

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• dewiki 3-Chinuclidinon
• enwiki 3-Quinuclidone

Wikibooks(0 entries)

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Wikinews(0 entries)

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Wikiquote(0 entries)

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(0 entries)

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