3,4-dihydro-2h-1-benzopyran-2-one
fo-c22484a096f534fe
Identity
- Type
- Neutral molecule
- CAS
- 119-84-6
- EC
- 204-354-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
22- 1,2-benzodihydropyrone
- 2-chromanone
- 2-hydroxydihydrocinnamic acid lactone
- 2H-1-Benzopyran-2-one, 3,4-dihydro-
- 3,4-Dihydro-1H-benzopyran-2-one
- 3,4-dihydro-2H-chromen-2-one
- 3,4-Dihydrochromen-2-one
- 3,4-Dihydrocoumarin
- benzodihydropyrone
- chroman-2-one
- DHC
- Dihydrocoumarin
- Hydrocinnamic acid, o-hydroxy-, δ-lactone
- hydrocoumarin
- melilotic acid lactone
- melilotic lactone
- melilotin
- Melilotin (coumarin)
- melilotol
- o-hydroxydihydrocinnamic acid lactone
- o-hydroxyhydrocinnamic acid delta-lactone
- oxochroman
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | VMUXSMXIQBNMGZ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2 |
| IUPAC name chemrof:IUPAC_name | 3,4-dihydro-2h-1-benzopyran-2-one |
| Molecular formula chemrof:molecular_formula | C9H8O2 |
| Molecular mass chemrof:molecular_mass | 148.161 |
| Monoisotopic mass chemrof:monoisotopic_mass | 148.052429, 148.05243 |
| SMILES string chemrof:smiles_string | O=C1CCc2ccccc2O1 |
Known URLs
23Where 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=119-84-6 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16151 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.959 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID2020474 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=10121 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL89306 | enrich_references.pubchem_identifier_url |
| femaflavor.org | https://www.femaflavor.org/flavor-library/dihydrocoumarin | enrich_references.pubchem_identifier_url |
| gmelin | gmelin:874678 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NM5K1Y1BT2 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0036626 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.832F | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C02274 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C02274 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=47423 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=DIHYDROCOUMARIN | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/660 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=124064 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12616288 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16362078 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16769080 | enrich_references.chebi_xrefs |
| reaxys | reaxys:4584 | enrich_references.chebi_xrefs |
| umbbd.compound | umbbd.compound:c0397 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27098403 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f2154a89-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9e49-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 3c0822c1-12e0-47c5-a3a9-dddec042c636 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9e48-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9e4a-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9e47-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9e45-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9e4e-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9e46-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9e4c-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-9e4f-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 08a91e70-3ddc-11dd-9e4b-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 3410ac72db7b8a973ca245f13ef05d414c7a021b | Environmental → Water → Unconfined aquifer | stepwise algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-9e4d-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-c22484a096f534fe",
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{
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{
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{
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{
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{
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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