(Q63392720)

English

Methyl 3-methoxybenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

166.06299418 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₉H₁₀O₃

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canonical SMILES

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

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Identifiers

InChI

InChI=1S/C9H10O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h3-6H,1-2H3

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InChIKey

DUKYPQBGYRJVAN-UHFFFAOYSA-N

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CAS Registry Number

5368-81-0

1 reference

InChIKey

DUKYPQBGYRJVAN-UHFFFAOYSA-N

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=5368-81-0

PubChem CID

79332

1 reference

matched by identifier from

InChIKey

DUKYPQBGYRJVAN-UHFFFAOYSA-N

SureChEMBL ID

SCHEMBL384913

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

DUKYPQBGYRJVAN-UHFFFAOYSA-N

1 reference

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP011430

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NMRShiftDB structure ID

10025129

1 reference

matched by identifier from

InChIKey

DUKYPQBGYRJVAN-UHFFFAOYSA-N

DSSTox substance ID

DTXSID40201918

2 references

stated in

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

matched by identifier from

InChIKey

DUKYPQBGYRJVAN-UHFFFAOYSA-N

DSSTOX compound identifier

0 references

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226-359-5

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ECHA Substance Infocard ID

100.023.962

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.023.962

retrieved

29 December 2019

title

Methyl m-anisate (English)

quotation

CAS no.: 5368-81-0 (English)

(Q63392720)

Methyl 3-methoxybenzoate

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Identifiers

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