Consensus flow list

(1s,5r)-6,8-dioxabicyclo[3.2.1]octan-4-one /n

fo-eee4a7d63d55448a

Identity

Type
NeutralMolecule
CAS
53716-82-8
EC
807-130-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for (1s,5r)-6,8-dioxabicyclo[3.2.1]octan-4-one /n

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WHIRALQRTSITMI-UJURSFKZSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H8O3/c7-5-2-1-4-3-8-6(5)9-4/h4,6H,1-3H2, InChI=1S/C6H8O3/c7-5-2-1-4-3-8-6(5)9-4/h4,6H,1-3H2/t4-,6+/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C1CC(=O)[C@@H]2OC[C@H]1O2
IUPAC name chemrof:IUPAC_name (1S,5R)-6,8-dioxabicyclo[3.2.1]octan-4-one
Molecular formula chemrof:molecular_formula C6H8O3
Molecular mass chemrof:molecular_mass 128.127
Monoisotopic mass chemrof:monoisotopic_mass 128.047344
SMILES string chemrof:smiles_string O=C1CCC2COC1O2

Known URLs

8

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=53716-82-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.234.612 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30450332 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4758795 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.424.053A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10975499 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q48247950 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dihydrolevoglucosenone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
27099ab2-9a04-4e1f-b6e1-bcba6d5ea3f5 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c82fba58-4931-4990-9436-3954901970d2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4f44de1a-9096-4dd4-8a27-5206e32e4aef Environmental → Air → Indoor EF 3.1 kg 2
f7c1d05a-f9c3-4181-a432-6da6d1aab321 Environmental → Air → Long-term EF 3.1 kg 0
b424d880-2af0-4b43-84ad-85f4b30869b8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
197b73ac-3278-45de-a5b4-cd2034979a4e Environmental → Air → Unknown EF 3.1 kg 2
349a452a-9bfd-4165-a2e9-023b42e045b8 Environmental → Ground → Agricultural EF 3.1 kg 2
3265ae76-a04f-46c2-a333-d1408dcd2d08 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4af1649a-c53f-458c-b24d-b53fdf8ff7df Environmental → Ground → Unknown EF 3.1 kg 2
9aa1bee0-fdcc-4bd7-807a-3d081eb93d5c Environmental → Water → Long-term EF 3.1 kg 0
fdc426d6-1491-47a6-bac8-bec91614c787 Environmental → Water → Ocean EF 3.1 kg 2
434bc681-be68-4969-8c4e-9b5725c664d4 Environmental → Water → Surface water EF 3.1 kg 2
ef930ecd-6bce-424f-99a0-e28fcc9d3040 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
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