(Q63393546)

English

2,4-Dimethoxybenzoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

182.0579088 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₉H₁₀O₄

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canonical SMILES

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

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melting point

109.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

Aconitum kongboense

1 reference

stated in

Chemical constituents of the aerial parts of Aconitum kongboense

Salvia candidissima

1 reference

stated in

Terpenoids and flavonoids from the aerial parts of Salvia candidissima

Identifiers

InChI

InChI=1S/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11)

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InChIKey

GPVDHNVGGIAOQT-UHFFFAOYSA-N

0 references

1 reference

6 April 2021

https://commonchemistry.cas.org/detail?cas_rn=91-52-1

InChIKey

GPVDHNVGGIAOQT-UHFFFAOYSA-N

PubChem CID

7052

1 reference

matched by identifier from

InChIKey

GPVDHNVGGIAOQT-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL154613

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GPVDHNVGGIAOQT-UHFFFAOYSA-N

1 reference

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP011213

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NMRShiftDB structure ID

20040345

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matched by identifier from

InChIKey

GPVDHNVGGIAOQT-UHFFFAOYSA-N

DSSTox substance ID

DTXSID1059026

2 references

stated in

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

matched by identifier from

InChIKey

GPVDHNVGGIAOQT-UHFFFAOYSA-N

DSSTOX compound identifier

0 references

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202-074-1

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ECHA Substance Infocard ID

100.001.886

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.001.886

retrieved

29 December 2019

title

2,4-dimethoxybenzoic acid (English)

quotation

CAS no.: 91-52-1 (English)

UNII

5699CY3NQJ

1 reference

matched by identifier from

InChIKey

GPVDHNVGGIAOQT-UHFFFAOYSA-N

(Q63393546)

2,4-Dimethoxybenzoic acid

Statements

Identifiers

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