Methyl 2,4-dihydroxybenzoate

2,4-Dihydroxybenzoic acid methyl ester
Benzoic acid, 2,4-dihydroxy-, methyl ester
Methyl β-resorcylate
β-Resorcylic acid, methyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	IIFCLXHRIYTHPV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H8O4/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,9-10H,1H3
IUPAC name chemrof:IUPAC_name	Methyl 2,4-dihydroxybenzoate
Molecular formula chemrof:molecular_formula	C8H8O4
Molecular mass chemrof:molecular_mass	168.148
Monoisotopic mass chemrof:monoisotopic_mass	168.042259
SMILES string chemrof:smiles_string	COC(=O)c1ccc(O)cc1O

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=2150-47-2	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.016.754	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID2022177	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL486026	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XE68BU3OYJ	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J127.960B	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=138466	enrich_references.pubchem_identifier_url
pharos.nih.gov	https://pharos.nih.gov/ligands/YP3RXR9M2U81	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/16523	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27293803	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
62c75adf-c1b9-4a94-8f11-687b86acfbc6	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
a7af610d-12f0-48c1-81e4-7e412694e9b7	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
cf4f40b0-5d0f-490f-b839-a0c549372a0a	Environmental → Air → Indoor	EF 3.1	kg	2
7cedf618-ac4d-4bae-8252-f2ab79bfb3da	Environmental → Air → Long-term	EF 3.1	kg	0
73a00f99-e032-47b7-9267-2d9db5160a85	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
a517d38d-03c6-4bd4-8201-31660e25f1f9	Environmental → Air → Unknown	EF 3.1	kg	2
956ed6b6-e0a3-4bb3-9d36-4494dba68302	Environmental → Ground → Agricultural	EF 3.1	kg	2
ce2855b0-ed46-4c53-b9e3-eec3124281a4	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
370086c2-76e9-44a3-8338-935d71a750ec	Environmental → Ground → Unknown	EF 3.1	kg	2
f1b0a2ec-6887-49db-962a-20dbad3b0687	Environmental → Water → Long-term	EF 3.1	kg	0
1f6c7276-3cbd-4a18-a44a-70eefe1b4d72	Environmental → Water → Ocean	EF 3.1	kg	2
014e7a64-0dc6-4df1-b4c3-fcc7067c5a2f	Environmental → Water → Surface water	EF 3.1	kg	2
655e4d1f-d9ba-4d9d-afa1-116a55715c93	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

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Flow object JSON

{
  "flow_object_id": "fo-1cbb47b9c2697e07",
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  "altLabel": [
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}

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Methyl 2,4-dihydroxybenzoate

Identity

Structure

Alternative labels

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