3,4-O-Dimethylgallic acid (Q27160492)

3-Hydroxy-4,5-dimethoxybenzoic acid (English)

9 October 2016

chemical formula

C₉H₁₀O₅

1 reference

3-Hydroxy-4,5-dimethoxybenzoic acid (English)

9 October 2016

canonical SMILES

COC1=CC(=CC(=C1OC)O)C(=O)O

1 reference

3-Hydroxy-4,5-dimethoxybenzoic acid (English)

9 October 2016

melting point

196.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

Commelina communis

1 reference

Simultaneous Qualitative and Quantitative Study of Main Compounds in Commelina communis Linn. by UHPLC-Q-TOF-MS-MS and HPLC-ESI-MS-MS

Identifiers

InChI

InChI=1S/C9H10O5/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4,10H,1-2H3,(H,11,12)

1 reference

3-Hydroxy-4,5-dimethoxybenzoic acid (English)

WFIBQVFJXGQICQ-UHFFFAOYSA-N

9 October 2016

InChIKey

2 references

3-Hydroxy-4,5-dimethoxybenzoic acid (English)

9 October 2016

WFIBQVFJXGQICQ-UHFFFAOYSA-N

ChEBI release 2020-09-01

CAS Registry Number

1916-08-1

1 reference

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=1916-08-1

1 reference

3,4-dimethoxy-5-hydroxybenzoic acid (English)

9 October 2016

1 reference

3-Hydroxy-4,5-dimethoxybenzoic acid (English)

9 October 2016

ChEBI ID

88603

mapping relation type

1 reference

3,4-O-Dimethylgallic acid (English)

9 October 2016

1 reference

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

CHEMBL85234 (English)

9 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

0 references

217-630-9

0 references

ECHA Substance Infocard ID

100.016.029

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.016.029

29 December 2019