4-methoxyphenylacetic acid (Q63398108)

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chemical compound

• homoanisic acid

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Language	Label	Description	Also known as
English	4-methoxyphenylacetic acid	chemical compound	homoanisic acid

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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chemical structure

4-Methoxyphenylessigsäure.svg
148 × 54; 7 KB

0 references

mass

166.06299418 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₉H₁₀O₃

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canonical SMILES

COC1=CC=C(C=C1)CC(=O)O

0 references

melting point

87 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

Aspergillus niger

2 references

stated in

A new fatty acid methyl ester and other biologically active compounds from Aspergillus niger

stated in

A new fatty acid methyl ester and other biologically active compounds from Aspergillus niger

Gloeophyllum odoratum

1 reference

stated in

Constituents of various wood-rotting basidiomycetes

Sargentodoxa cuneata

2 references

stated in

Chemical Constituents of the Stem of Sargentodoxa cuneata

stated in

Chemical Constituents of the Stem of Sargentodoxa cuneata

Berberis koreana

2 references

stated in

Biological evaluation of phenolic constituents from the trunk of Berberis koreana

stated in

Biological evaluation of phenolic constituents from the trunk of Berberis koreana

Homo sapiens

1 reference

stated in

Salivary metabolite signatures of oral cancer and leukoplakia

Identifiers

InChI

InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

0 references

InChIKey

NRPFNQUDKRYCNX-UHFFFAOYSA-N

1 reference

stated in

ChEBI release 2020-09-01

CAS Registry Number

104-01-8

1 reference

InChIKey

NRPFNQUDKRYCNX-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=104-01-8

ChemSpider ID

7406

0 references

PubChem CID

7690

1 reference

matched by identifier from

InChIKey

InChIKey

NRPFNQUDKRYCNX-UHFFFAOYSA-N

ChEBI ID

55501

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

SureChEMBL ID

SCHEMBL240822

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

NRPFNQUDKRYCNX-UHFFFAOYSA-N

UniChem compound ID

1091270

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP010380

0 references

NMRShiftDB structure ID

20033063

1 reference

matched by identifier from

InChIKey

InChIKey

NRPFNQUDKRYCNX-UHFFFAOYSA-N

CAMEO Chemicals ID

17012

0 references

DSSTox substance ID

DTXSID1059288

2 references

stated in

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

matched by identifier from

InChIKey

InChIKey

NRPFNQUDKRYCNX-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID3032836

0 references

NSC number

27799

0 references

65597

0 references

EC number

203-166-4

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.879

retrieved

29 December 2019

title

4-methoxyphenylacetic acid (English)

quotation

CAS no.: 104-01-8 (English)

ECHA Substance Infocard ID

100.002.879

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.879

retrieved

29 December 2019

title

4-methoxyphenylacetic acid (English)

quotation

CAS no.: 104-01-8 (English)

AICS Chemical ID (BEING DELETED)

2519

0 references

Human Metabolome Database ID

HMDB0002072

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

NRPFNQUDKRYCNX-UHFFFAOYSA-N

UNII

AJP2V8U5K6

1 reference

matched by identifier from

InChIKey

InChIKey

NRPFNQUDKRYCNX-UHFFFAOYSA-N

Probes And Drugs ID

PD124018

0 references

IEDB Epitope ID

119696

1 reference

stated in

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

119696

retrieved

1 March 2022

 

Sitelinks

Wikipedia(1 entry)

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• dewiki 4-Methoxyphenylessigsäure

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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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