2-naphthoic acid (Q27104331)

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chemical compound

• naphthalene-2-carboxylic acid

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Language	Label	Description	Also known as
English	2-naphthoic acid	chemical compound	naphthalene-2-carboxylic acid

Statements

instance of

type of chemical entity

0 references

subclass of

naphthalenes

1 reference

based on heuristic

inferred from SMILES

chemical structure

2-naphthoic.png
712 × 407; 25 KB

0 references

mass

172.052±0 dalton

1 reference

stated in

PubChem

PubChem CID

7123

language of work or name

English

title

2-Naphthoic acid (English)

retrieved

19 October 2016

chemical formula

C₁₁H₈O₂

1 reference

stated in

PubChem

PubChem CID

7123

language of work or name

English

title

2-Naphthoic acid (English)

retrieved

19 October 2016

canonical SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)O

1 reference

stated in

PubChem

PubChem CID

7123

language of work or name

English

title

2-Naphthoic acid (English)

retrieved

19 October 2016

melting point

184.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

Commons category

2-Naphthoic acid

0 references

Identifiers

InChI

InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)

1 reference

stated in

PubChem

PubChem CID

7123

language of work or name

English

title

2-Naphthoic acid (English)

retrieved

19 October 2016

InChIKey

UOBYKYZJUGYBDK-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

7123

language of work or name

English

title

2-Naphthoic acid (English)

retrieved

19 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

93-09-4

2 references

stated in

Global Substance Registration System

UNII

QLG01V0W2L

language of work or name

English

title

2-naphthoic acid (English)

retrieved

19 October 2016

InChIKey

UOBYKYZJUGYBDK-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=93-09-4

ChemSpider ID

6856

1 reference

stated in

ChemSpider

ChemSpider ID

6856

language of work or name

English

title

2-Naphthoic acid (English)

retrieved

19 October 2016

PubChem CID

7123

2 references

stated in

PubChem

PubChem CID

7123

language of work or name

English

title

2-Naphthoic acid (English)

retrieved

19 October 2016

matched by identifier from

InChIKey

InChIKey

UOBYKYZJUGYBDK-UHFFFAOYSA-N

Reaxys registry number

972039

1 reference

stated in

ChEBI

ChEBI ID

36106

language of work or name

English

title

2-naphthoic acid (English)

retrieved

19 October 2016

Gmelin number

185326

0 references

ChEBI ID

36106

mapping relation type

exact match

2 references

stated in

ChEBI

ChEBI ID

36106

language of work or name

English

title

2-naphthoic acid (English)

retrieved

19 October 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)

ChEMBL ID

CHEMBL114648

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL114648

language of work or name

English

title

BETA-NAPHTOIC ACID (English)

retrieved

19 October 2016

SureChEMBL ID

SCHEMBL98296

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

UOBYKYZJUGYBDK-UHFFFAOYSA-N

UniChem compound ID

368025

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-UFZ-UA004801

0 references

MSBNK-UFZ-UA004802

0 references

MSBNK-UFZ-UA004803

0 references

MSBNK-UFZ-UA004804

0 references

SPLASH

splash10-0006-0900000000-ff8f6d56c3dd69a90c38

0 references

splash10-004i-0900000000-063ec9c0c0e2b34d9ab1

0 references

splash10-004i-0900000000-f0d0c74518ea9bd89688

0 references

NMRShiftDB structure ID

10016025

1 reference

matched by identifier from

InChIKey

InChIKey

UOBYKYZJUGYBDK-UHFFFAOYSA-N

DSSTox substance ID

DTXSID1059078

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

UOBYKYZJUGYBDK-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID2048828

0 references

NSC number

59901

0 references

EC number

202-217-8

1 reference

stated in

Global Substance Registration System

UNII

QLG01V0W2L

language of work or name

English

title

2-naphthoic acid (English)

retrieved

19 October 2016

ECHA Substance Infocard ID

100.002.017

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.017

retrieved

27 December 2018

title

2-naphthoic acid (English)

quotation

CAS no.: 93-09-4 (English)

UM-BBD compound ID

c0702

0 references

Human Metabolome Database ID

HMDB0245249

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

UOBYKYZJUGYBDK-UHFFFAOYSA-N

UNII

QLG01V0W2L

2 references

stated in

Global Substance Registration System

UNII

QLG01V0W2L

language of work or name

English

title

2-naphthoic acid (English)

retrieved

19 October 2016

matched by identifier from

InChIKey

InChIKey

UOBYKYZJUGYBDK-UHFFFAOYSA-N

KEGG ID

C14101

0 references

PDB ligand ID

FIV

0 references

Google Knowledge Graph ID

/g/11gdkrb89h

0 references

PDB structure ID

4EGP

1 reference

stated in

Protein Data Bank

PDB structure ID

4EGP

language of work or name

English

title

4EGP (English)

retrieved

19 October 2016

 

Sitelinks

Wikipedia(4 entries)

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• dewiki 2-Naphthoesäure
• enwiki 2-Naphthoic acid
• tawiki 2-நாப்தாயிக் அமிலம்
• zhwiki 2-萘甲酸

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:2-Naphthoic acid

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