Tetrahydro-4H-pyran-4-one (Q72506622)

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chemical compound

• Tetrahydro-2H-pyran-4-one

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Language	Label	Description	Also known as
English	Tetrahydro-4H-pyran-4-one	chemical compound	Tetrahydro-2H-pyran-4-one

Statements

instance of

type of chemical entity

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subclass of

chemical compound

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chemical structure

Tetrahydro-4H-pyran-4-one-2D-skeletal.svg
114 × 203; 4 KB

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mass

100.052429496 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅H₈O₂

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canonical SMILES

C1COCCC1=O

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Identifiers

InChI

InChI=1S/C5H8O2/c6-5-1-3-7-4-2-5/h1-4H2

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InChIKey

JMJRYTGVHCAYCT-UHFFFAOYSA-N

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CAS Registry Number

29943-42-8

1 reference

stated in

CAS Common Chemistry

retrieved

6 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=29943-42-8

InChIKey

JMJRYTGVHCAYCT-UHFFFAOYSA-N

PubChem CID

121599

1 reference

matched by identifier from

InChIKey

InChIKey

JMJRYTGVHCAYCT-UHFFFAOYSA-N

UniChem compound ID

2331208

1 reference

stated in

UniChem

NMRShiftDB structure ID

20027533

1 reference

matched by identifier from

InChIKey

InChIKey

JMJRYTGVHCAYCT-UHFFFAOYSA-N

DSSTox substance ID

DTXSID70184048

1 reference

matched by identifier from

InChIKey

InChIKey

JMJRYTGVHCAYCT-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID80106539

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EC number

249-967-2

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ECHA Substance Infocard ID

100.045.410

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.045.410

retrieved

29 December 2019

title

Tetrahydro-4H-pyran-4-one (English)

quotation

CAS no.: 29943-42-8 (English)

UNII

N8SV5GRB9E

1 reference

matched by identifier from

InChIKey

InChIKey

JMJRYTGVHCAYCT-UHFFFAOYSA-N

 

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