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2,4-dihydroxybenzaldehyde

fo-ddacb88071bc526f

Identity

Type
Neutral molecule
CAS
95-01-2
EC
202-383-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2,4-dihydroxybenzaldehyde

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IUNJCFABHJZSKB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6O3/c8-4-5-1-2-6(9)3-7(5)10/h1-4,9-10H
IUPAC name chemrof:IUPAC_name 2,4-dihydroxybenzaldehyde
Molecular formula chemrof:molecular_formula C7H6O3
Molecular mass chemrof:molecular_mass 138.122
Monoisotopic mass chemrof:monoisotopic_mass 138.03169, 138.031694
SMILES string chemrof:smiles_string O=Cc1ccc(O)cc1O

Known URLs

16

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
beilstein beilstein:878548 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=95-01-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:50198 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.167 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8021806 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8690 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL243587 enrich_references.pubchem_identifier_url
gmelin gmelin:218304 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/772JOF6LZS enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0062484 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.706F enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=57363 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7213 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017923 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q27121977 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,4-Dihydroxybenzaldehyde enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
51f241aa-dea2-4716-a451-1a360107b975 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
677562bc-ae36-4c3c-a24c-be4bc809e7d9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ede3edc5-00f7-49c7-adc6-fbbf0b12048b Environmental → Air → Indoor EF 3.1 kg 2
c5b3b623-8921-45be-bfaf-6f6984ed2896 Environmental → Air → Long-term EF 3.1 kg 0
6017ebc4-7eeb-408d-bf7a-e9bfbd9f7c68 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
dee1d364-b9a1-4544-af0f-99882fa3f9ad Environmental → Air → Unknown EF 3.1 kg 2
fb9bdba1-799f-457d-b18f-ec71452fbf26 Environmental → Ground → Agricultural EF 3.1 kg 2
b956e890-b66c-401f-bb24-6ee5872fd064 Environmental → Ground → Non-agricultural EF 3.1 kg 2
488504c7-5ea7-4c83-a23b-499eed9340b7 Environmental → Ground → Unknown EF 3.1 kg 2
93857efa-b516-4f7f-9329-66823fd165fc Environmental → Water → Long-term EF 3.1 kg 0
f5375c7a-039c-447b-8f45-8b4d2b64e581 Environmental → Water → Ocean EF 3.1 kg 2
412125df-b85d-4b2f-af73-42a2f52ef793 Environmental → Water → Surface water EF 3.1 kg 2
a10d6068-cb50-4962-973a-ba3ca1d4114e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-ddacb88071bc526f",
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  ],
  "altLabel": [
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    },
    {
      "@value": "2,4-Dihydroxybenzenecarbonal",
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    {
      "@value": "2,4-Dihydroxybezaldehyde",
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    {
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