diethyl malonic acid (Q419817)

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chemical compound

• Propanedioic acid, diethyl-
• 3,3-Pentanedicarboxylic acid
• 2,2-diethylpropanedioic acid

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Language	Label	Description	Also known as
English	diethyl malonic acid	chemical compound	Propanedioic acid, diethyl- 3,3-Pentanedicarboxylic acid 2,2-diethylpropanedioic acid

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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image of molecular model or crystal lattice model

Diethyl malonate 3D ball.png
2,890 × 1,000; 440 KB

depicts

ball-and-stick model

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mass

160.074 dalton

1 reference

stated in

PubChem

PubChem CID

68185

language of work or name

English

title

Diethylmalonic acid (English)

retrieved

14 October 2016

chemical formula

C₇H₁₂O₄

1 reference

stated in

PubChem

PubChem CID

68185

language of work or name

English

title

Diethylmalonic acid (English)

retrieved

20 November 2016

canonical SMILES

CCC(CC)(C(=O)O)C(=O)O

1 reference

stated in

PubChem

PubChem CID

68185

language of work or name

English

title

Diethylmalonic acid (English)

retrieved

20 November 2016

found in taxon

Clinopodium barbatum

1 reference

stated in

The Essential Oil ofMicromeria fruticosa(L.) Druce subsp.barbata(Boiss et. Ky.), P. H. Davis

Identifiers

InChI

InChI=1S/C7H12O4/c1-3-7(4-2,5(8)9)6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)

1 reference

stated in

PubChem

PubChem CID

68185

language of work or name

English

title

Diethylmalonic acid (English)

retrieved

20 November 2016

InChIKey

LTMRRSWNXVJMBA-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

68185

language of work or name

English

title

Diethylmalonic acid (English)

retrieved

20 November 2016

CAS Registry Number

510-20-3

1 reference

stated in

CAS Common Chemistry

retrieved

7 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=510-20-3

InChIKey

LTMRRSWNXVJMBA-UHFFFAOYSA-N

ChemSpider ID

61492

1 reference

stated in

ChemSpider

ChemSpider ID

61492

language of work or name

English

title

Diethylmalonic acid (English)

retrieved

20 November 2016

PubChem CID

68185

2 references

stated in

PubChem

PubChem CID

68185

language of work or name

English

title

Diethylmalonic acid (English)

retrieved

16 May 2018

matched by identifier from

InChIKey

InChIKey

LTMRRSWNXVJMBA-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL51201

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

LTMRRSWNXVJMBA-UHFFFAOYSA-N

UniChem compound ID

23483289

1 reference

stated in

UniChem

NMRShiftDB structure ID

20208154

1 reference

matched by identifier from

InChIKey

InChIKey

LTMRRSWNXVJMBA-UHFFFAOYSA-N

DSSTox substance ID

DTXSID9060150

1 reference

stated in

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

DSSTOX compound identifier

DTXCID6040953

0 references

NSC number

1986

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EC number

208-111-8

1 reference

reference URL

https://echa.europa.eu/de/substance-information/-/substanceinfo/100.007.375

ECHA Substance Infocard ID

100.007.375

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.007.375

retrieved

27 December 2018

title

Diethylmalonic acid (English)

quotation

CAS no.: 510-20-3 (English)

AICS Chemical ID (BEING DELETED)

4596

0 references

Human Metabolome Database ID

HMDB0251250

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

LTMRRSWNXVJMBA-UHFFFAOYSA-N

UNII

QHT44LOC3W

2 references

stated in

Global Substance Registration System

UNII

QHT44LOC3W

language of work or name

English

title

diethylmalonic acid (English)

retrieved

20 November 2016

matched by identifier from

InChIKey

InChIKey

LTMRRSWNXVJMBA-UHFFFAOYSA-N

Quora topic ID

Diethyl-Malonate

0 references

 

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