Furan-2,5-dicarboxylic Acid
fo-c0a7cd574ec72392
Identity
- Type
- Neutral molecule
- CAS
- 3238-40-2
- EC
- 221-800-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
6- 2,5-dicarboxyfuran
- 2,5-Furandicarboxylic acid
- Dehydromucic acid
- FDCA
- Furane-alpha,alpha'-dicarboxylic acid
- Furane-α,α′-dicarboxylic acid
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | CHTHALBTIRVDBM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10) |
| IUPAC name chemrof:IUPAC_name | Furan-2,5-dicarboxylic Acid |
| Molecular formula chemrof:molecular_formula | C6H4O5 |
| Molecular mass chemrof:molecular_mass | 156.093 |
| Monoisotopic mass chemrof:monoisotopic_mass | 156.00587, 156.005873 |
| SMILES string chemrof:smiles_string | O=C(O)c1ccc(C(=O)O)o1 |
Known URLs
18Where 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=3238-40-2 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84212 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.019.819 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID0062927 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=40740 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/73C4JJ695C | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0004812 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.694E | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/C20450 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=38548 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-14105 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/76720 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018155 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24271187 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24802551 | enrich_references.chebi_xrefs |
| reaxys | reaxys:136780 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q4596798 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/2,5-Furandicarboxylic_acid | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1cddde78-c2a3-4777-85d3-76317a16e4e8 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 199ba74a-a778-4a29-bbb3-dfd4f918f2b2 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 779fc1cd-2e93-47d4-8bce-83fdc1f08919 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 7b6fd788-2fe8-4d76-93b9-6555121e4e8a | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| c3233f4f-a78f-4445-abf6-c95ca09ad51e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| f7dd41a1-0a9b-4b6e-a126-39a500a48185 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| c6610f78-ba00-4c75-bdad-48a1271035cf | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| eb5524a2-e7aa-40a6-ae60-193752f83c55 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 220999ae-a75e-404f-b45b-66da5cc4ee84 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| a0a97b77-4216-4add-afb1-2fda834141f2 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| cfe12fe8-8841-40d7-a72b-e4a90a7a724e | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| adcd91e8-aac5-44ec-add1-6361cc92be0c | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 648ca5d3-0a9d-46a1-b7ff-920003dd1eeb | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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{
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works