isocrotonic acid (Q1674400)

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chemical compound

• (Z)-2-Butenoic acid
• (Z)-Crotonic acid
• cis-2-Butenoic Acid
• cis-Crotonic Acid
• (Z)-but-2-enoic acid
• perisocrotonic acid
• Isocrotonic acid

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Language	Label	Description	Also known as
English	isocrotonic acid	chemical compound	(Z)-2-Butenoic acid (Z)-Crotonic acid cis-2-Butenoic Acid cis-Crotonic Acid (Z)-but-2-enoic acid perisocrotonic acid Isocrotonic acid

Statements

instance of

type of chemical entity

0 references

subclass of

unsaturated fatty acid

0 references

2-butenoic acid

0 references

chemical structure

(Z)-but-2-enoic acid 200.svg
106 × 63; 5 KB

1 reference

imported from Wikimedia project

German Wikipedia

Isocrotonic acid.svg
255 × 170; 5 KB

0 references

mass

86.036779 dalton

1 reference

stated in

PubChem

PubChem CID

643792

language of work or name

English

title

Isocrotonic acid (English)

retrieved

6 October 2016

chemical formula

C₄H₆O₂

1 reference

stated in

PubChem

PubChem CID

643792

language of work or name

English

title

Isocrotonic acid (English)

retrieved

6 October 2016

canonical SMILES

CC=CC(=O)O

1 reference

stated in

PubChem

PubChem CID

643792

language of work or name

English

title

Isocrotonic acid (English)

retrieved

6 October 2016

isomeric SMILES

C/C=C\C(=O)O

1 reference

stated in

PubChem

PubChem CID

643792

language of work or name

English

title

Isocrotonic acid (English)

retrieved

6 October 2016

ionization energy

10.08 electronvolt

series ordinal

1

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

melting point

15 degree Celsius

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

169 degree Celsius

under pressure

101.325 kilopascal

1 reference

stated in

Basic laboratory and industrial chemicals: A CRC quick reference handbook

found in taxon

Coffea arabica

1 reference

stated in

New volatile components of roasted coffee

Commons category

Isocrotonic acid

0 references

Identifiers

InChI

InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2-

1 reference

stated in

PubChem

PubChem CID

643792

language of work or name

English

title

Isocrotonic acid (English)

retrieved

6 October 2016

InChIKey

LDHQCZJRKDOVOX-IHWYPQMZSA-N

2 references

stated in

PubChem

PubChem CID

643792

language of work or name

English

title

Isocrotonic acid (English)

retrieved

6 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

503-64-0

2 references

stated in

ChEBI

ChEBI ID

36253

language of work or name

English

title

isocrotonic acid (English)

retrieved

6 October 2016

InChIKey

LDHQCZJRKDOVOX-IHWYPQMZSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=503-64-0

ChemSpider ID

558890

1 reference

stated in

ChemSpider

ChemSpider ID

558890

language of work or name

English

title

Isocrotonic acid (English)

retrieved

6 October 2016

PubChem CID

643792

2 references

stated in

PubChem

PubChem CID

643792

language of work or name

English

title

Isocrotonic acid (English)

retrieved

6 October 2016

matched by identifier from

InChIKey

InChIKey

LDHQCZJRKDOVOX-IHWYPQMZSA-N

Reaxys registry number

1719942

1 reference

stated in

ChEBI

ChEBI ID

36253

language of work or name

English

title

isocrotonic acid (English)

retrieved

6 October 2016

ChEBI ID

36253

mapping relation type

exact match

2 references

stated in

ChEBI

ChEBI ID

36253

language of work or name

English

title

isocrotonic acid (English)

retrieved

6 October 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2-

UniChem compound ID

1098156

1 reference

stated in

UniChem

NMRShiftDB structure ID

10016781

1 reference

matched by identifier from

InChIKey

InChIKey

LDHQCZJRKDOVOX-IHWYPQMZSA-N

DSSTox substance ID

DTXSID70880977

1 reference

matched by identifier from

InChIKey

InChIKey

LDHQCZJRKDOVOX-IHWYPQMZSA-N

DSSTOX compound identifier

DTXCID801018032

0 references

EC number

207-973-2

1 reference

stated in

Global Substance Registration System

UNII

85GQ7GL1UM

language of work or name

English

title

ISOCROTONIC ACID (English)

retrieved

6 October 2016

ECHA Substance Infocard ID

100.007.249

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.007.249

retrieved

27 December 2018

title

Isocrotonic acid (English)

quotation

CAS no.: 503-64-0 (English)

Human Metabolome Database ID

HMDB0034439

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

LDHQCZJRKDOVOX-IHWYPQMZSA-N

UNII

85GQ7GL1UM

2 references

stated in

Global Substance Registration System

UNII

85GQ7GL1UM

language of work or name

English

title

ISOCROTONIC ACID (English)

retrieved

6 October 2016

matched by identifier from

InChIKey

InChIKey

LDHQCZJRKDOVOX-IHWYPQMZSA-N

LIPID MAPS ID

LMFA01030194

0 references

Freebase ID

/m/0bhc9bp

0 references

Microsoft Academic ID

2779993619

0 references

 

Sitelinks

Wikipedia(7 entries)

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• dewiki Isocrotonsäure
• enwiki Isocrotonic acid
• eowiki Izokrotonata acido
• eswiki Ácido isocrotónico
• frwiki Acide isocrotonique
• jawiki イソクロトン酸
• lvwiki Izokrotonskābe

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(1 entry)

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• commonswiki Category:Isocrotonic acid

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