2-methyl-5-phenylfuran-3-carboxylic acid (Q27452900)

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chemical compound

• Jedi1

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Language	Label	Description	Also known as
English	2-methyl-5-phenylfuran-3-carboxylic acid	chemical compound	Jedi1

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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chemical structure

2-methyl-5-phenylfuran-3-carboxylic acid.svg
470 × 315; 10 KB

0 references

mass

202.063±0 dalton

1 reference

stated in

PubChem

PubChem CID

736516

language of work or name

English

title

2-Methyl-5-phenyl-3-furoic acid (English)

retrieved

19 October 2016

chemical formula

C₁₂H₁₀O₃

1 reference

stated in

PubChem

PubChem CID

736516

language of work or name

English

title

2-Methyl-5-phenyl-3-furoic acid (English)

retrieved

19 October 2016

canonical SMILES

CC1=C(C=C(O1)C2=CC=CC=C2)C(=O)O

1 reference

stated in

PubChem

PubChem CID

736516

language of work or name

English

title

2-Methyl-5-phenyl-3-furoic acid (English)

retrieved

19 October 2016

melting point

183.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

Identifiers

InChI

InChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)

1 reference

stated in

PubChem

PubChem CID

736516

language of work or name

English

title

2-Methyl-5-phenyl-3-furoic acid (English)

retrieved

19 October 2016

InChIKey

VLMNACSEESRUAK-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

736516

language of work or name

English

title

2-Methyl-5-phenyl-3-furoic acid (English)

retrieved

19 October 2016

CAS Registry Number

108124-17-0

0 references

ChemSpider ID

643637

1 reference

stated in

ChemSpider

ChemSpider ID

643637

language of work or name

English

title

2-Methyl-5-phenyl-3-furoic acid (English)

retrieved

19 October 2016

PubChem CID

736516

2 references

stated in

PubChem

PubChem CID

736516

language of work or name

English

title

2-Methyl-5-phenyl-3-furoic acid (English)

retrieved

19 October 2016

matched by identifier from

InChIKey

InChIKey

VLMNACSEESRUAK-UHFFFAOYSA-N

ChEBI ID

194898

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)

SureChEMBL ID

SCHEMBL557753

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

VLMNACSEESRUAK-UHFFFAOYSA-N

UniChem compound ID

23738973

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID30353051

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

VLMNACSEESRUAK-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID80304114

0 references

Guide to Pharmacology Ligand ID

10249

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

retrieved

5 February 2021

Probes And Drugs ID

PD098159

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PDB ligand ID

2D2

0 references

PDB structure ID

4MTA

1 reference

stated in

Protein Data Bank

PDB structure ID

4MTA

language of work or name

English

title

4MTA (English)

retrieved

19 October 2016

 

Sitelinks

Wikipedia(1 entry)

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• enwiki Jedi1

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wiktionary(0 entries)

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