(Q27135486)

4-oxo-4-(pyridin-3-yl)butanal (English)

7 October 2016

chemical formula

C₉H₉NO₂

1 reference

4-oxo-4-(pyridin-3-yl)butanal (English)

19 November 2016

canonical SMILES

C1=CC(=CN=C1)C(=O)CCC=O

1 reference

4-oxo-4-(pyridin-3-yl)butanal (English)

InChI=1S/C9H9NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5-7H,2,4H2

19 November 2016

Identifiers

InChI

1 reference

4-oxo-4-(pyridin-3-yl)butanal (English)

19 November 2016

2 references

4-oxo-4-(pyridin-3-yl)butanal (English)

Global Substance Registration System

19 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

76014-80-7

2 references

stated in

UNII

82739XE26C

4-oxo-4-(3-pyridinebutanal) (English)

19 November 2016

https://commonchemistry.cas.org/detail?cas_rn=76014-80-7

8 April 2021

1 reference

4-Oxo-4-(3-pyridinyl)butanal (English)

19 November 2016

2 references

4-oxo-4-(pyridin-3-yl)butanal (English)

19 November 2016

Reaxys registry number

907964

1 reference

4-oxo-4-(pyridin-3-yl)butanal (English)

7 October 2016

ChEBI ID

66879

mapping relation type

2 references

4-oxo-4-(pyridin-3-yl)butanal (English)

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C9H9NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5-7H,2,4H2

1 reference

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID10149414

0 references

Human Metabolome Database ID

HMDB0062406

2 references

based on heuristic

inferred from InChIKey

Global Substance Registration System

UNII

82739XE26C

2 references

stated in

UNII

82739XE26C

4-oxo-4-(3-pyridinebutanal) (English)

19 November 2016

1 reference

4-oxo-4-(pyridin-3-yl)butanal (English)