1-hydroxy-2-naphthoic acid (Q27104334)

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chemical compound

• 1-hydroxynaphthalene-2-carboxylic acid
• xinafoate
• 1-naphthol-2-carboxylic acid

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Language	Label	Description	Also known as
English	1-hydroxy-2-naphthoic acid	chemical compound	1-hydroxynaphthalene-2-carboxylic acid xinafoate 1-naphthol-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

1-hydroxy-2-naphthoic acid.svg
435 × 255; 15 KB

0 references

mass

188.047±0 dalton

1 reference

stated in

PubChem

PubChem CID

6844

language of work or name

English

title

1-Hydroxy-2-naphthoic acid (English)

retrieved

19 October 2016

conjugate base

1-hydroxy-2-naphthoate

0 references

chemical formula

C₁₁H₈O₃

1 reference

stated in

PubChem

PubChem CID

6844

language of work or name

English

title

1-Hydroxy-2-naphthoic acid (English)

retrieved

19 October 2016

canonical SMILES

C1=CC=C2C(=C1)C=CC(=C2O)C(=O)O

1 reference

stated in

PubChem

PubChem CID

6844

language of work or name

English

title

1-Hydroxy-2-naphthoic acid (English)

retrieved

19 October 2016

Identifiers

InChI

InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)

1 reference

stated in

PubChem

PubChem CID

6844

language of work or name

English

title

1-Hydroxy-2-naphthoic acid (English)

retrieved

19 October 2016

InChIKey

SJJCQDRGABAVBB-UHFFFAOYSA-N

2 references

stated in

PubChem

PubChem CID

6844

language of work or name

English

title

1-Hydroxy-2-naphthoic acid (English)

retrieved

19 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

86-48-6

2 references

stated in

Global Substance Registration System

UNII

U8LZ3R07L8

language of work or name

English

title

1-hydroxy-2-naphthoic acid (English)

retrieved

19 October 2016

InChIKey

SJJCQDRGABAVBB-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=86-48-6

ChemSpider ID

6583

1 reference

stated in

ChemSpider

ChemSpider ID

6583

language of work or name

English

title

2-carboxy-1-naphthol (English)

retrieved

19 October 2016

PubChem CID

6844

2 references

stated in

PubChem

PubChem CID

6844

language of work or name

English

title

1-Hydroxy-2-naphthoic acid (English)

retrieved

19 October 2016

matched by identifier from

InChIKey

InChIKey

SJJCQDRGABAVBB-UHFFFAOYSA-N

Reaxys registry number

974438

1 reference

stated in

ChEBI

ChEBI ID

36108

language of work or name

English

title

1-hydroxy-2-naphthoic acid (English)

retrieved

19 October 2016

Gmelin number

721746

0 references

ChEBI ID

36108

mapping relation type

exact match

2 references

stated in

ChEBI

ChEBI ID

36108

language of work or name

English

title

1-hydroxy-2-naphthoic acid (English)

retrieved

19 October 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)

ChEMBL ID

CHEMBL229299

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL229299

language of work or name

English

title

CARBOXYNAPHTHOL (English)

retrieved

19 October 2016

SureChEMBL ID

SCHEMBL25244

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

SJJCQDRGABAVBB-UHFFFAOYSA-N

UniChem compound ID

280731

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP011304

0 references

SPLASH

splash10-0006-0900000000-7b5eb6754229bc834b72

0 references

splash10-0006-0900000000-5ae882ca124ee1287a51

0 references

splash10-014u-0923000000-67bab72c82567f2c6cd9

0 references

NMRShiftDB structure ID

20096906

1 reference

matched by identifier from

InChIKey

InChIKey

SJJCQDRGABAVBB-UHFFFAOYSA-N

ZVG number

26090

0 references

DSSTox substance ID

DTXSID5058937

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

SJJCQDRGABAVBB-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID0048503

0 references

NSC number

3717

0 references

EC number

201-674-0

1 reference

stated in

Global Substance Registration System

UNII

U8LZ3R07L8

language of work or name

English

title

1-hydroxy-2-naphthoic acid (English)

retrieved

19 October 2016

ECHA Substance Infocard ID

100.001.522

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.001.522

retrieved

27 December 2018

title

1-hydroxy-2-naphthoic acid (English)

quotation

CAS no.: 86-48-6 (English)

UM-BBD compound ID

c0438

0 references

Human Metabolome Database ID

HMDB0243892

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

SJJCQDRGABAVBB-UHFFFAOYSA-N

UNII

U8LZ3R07L8

2 references

stated in

Global Substance Registration System

UNII

U8LZ3R07L8

language of work or name

English

title

1-hydroxy-2-naphthoic acid (English)

retrieved

19 October 2016

matched by identifier from

InChIKey

InChIKey

SJJCQDRGABAVBB-UHFFFAOYSA-N

Probes And Drugs ID

PD054433

0 references

KEGG ID

C03203

0 references

PDB ligand ID

1HN

0 references

PDB structure ID

3NKT

1 reference

stated in

Protein Data Bank

PDB structure ID

3NKT

language of work or name

English

title

3NKT (English)

retrieved

19 October 2016

 

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