Consensus flow list

(s)-3-hydroxytetrahydrofurane

fo-79aec5ae6885a8b1

Identity

Type
NeutralMolecule
CAS
86087-23-2
EC
425-090-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for (s)-3-hydroxytetrahydrofurane

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

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XDPCNPCKDGQBAN-BYPYZUCNSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string O[C@H]1CCOC1
IUPAC name chemrof:IUPAC_name (s)-3-hydroxytetrahydrofurane
Molecular formula chemrof:molecular_formula C4H8O2
Molecular mass chemrof:molecular_mass 88.106
Monoisotopic mass chemrof:monoisotopic_mass 88.052429
SMILES string chemrof:smiles_string OC1CCOC1

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=86087-23-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.102.355 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.120.322 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50893863 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3E76E9MC2H enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J146.588K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2733227 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72481890 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e2b181e4-6480-4467-be7c-a33e0da5f765 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
a019e473-433f-4071-a134-5581f390face Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
817fa901-22ce-4da8-8e24-157331df4017 Environmental → Air → Indoor EF 3.1 kg 4
cc3699bf-5ee5-461e-a2f6-3675997244be Environmental → Air → Long-term EF 3.1 kg 0
b78596e6-f93e-4d7f-8060-33344a8dd1a3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
70989d41-9010-47d1-9a8c-1f599b44b9e4 Environmental → Air → Unknown EF 3.1 kg 4
b9333b1d-e6c7-44d2-8443-4fad60ff9835 Environmental → Ground → Agricultural EF 3.1 kg 4
f0504c31-8e13-4c36-8600-25a5a1f98a42 Environmental → Ground → Non-agricultural EF 3.1 kg 4
5492d7a8-c05c-4b50-b2ed-7e875bb142e8 Environmental → Ground → Unknown EF 3.1 kg 4
e8f182aa-cebd-4b36-bb95-0d87a8482ae6 Environmental → Water → Long-term EF 3.1 kg 0
bceb3257-770e-4778-aa40-1774ee4d8191 Environmental → Water → Ocean EF 3.1 kg 4
317ca48f-854b-4407-8236-98677fb54b2d Environmental → Water → Surface water EF 3.1 kg 4
4e2e7efc-a90b-4ede-b9dd-9226918304ad Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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