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Isonicotinaldehyde Oxime

fo-dc5307e163727452

Identity

Type
Neutral molecule
CAS
696-54-8
EC
211-796-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Isonicotinaldehyde Oxime

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OFYLBLSSPQTTHT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H6N2O/c9-8-5-6-1-3-7-4-2-6/h1-5,9H
IUPAC name chemrof:IUPAC_name Isonicotinaldehyde Oxime
Molecular formula chemrof:molecular_formula C6H6N2O
Molecular mass chemrof:molecular_mass 122.127
Monoisotopic mass chemrof:monoisotopic_mass 122.048013
SMILES string chemrof:smiles_string ON=Cc1ccncc1

Known URLs

5

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=696-54-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.725 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80896842 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12764 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q106902965 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d8221409-242f-444a-8568-214e19f350a8 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
b01ecf77-9a39-476f-aa51-ba53ecf689b5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e28a55fd-333b-4fb0-b9b4-fd90cc627b27 Environmental → Air → Indoor EF 3.1 kg 2
43dc4874-0dce-4f3e-8df2-d5ade67759aa Environmental → Air → Long-term EF 3.1 kg 0
6e483b5d-af6c-433d-828e-bb5a1e33d3d0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
f11b7e8f-0afe-443d-b586-f91320f3a043 Environmental → Air → Unknown EF 3.1 kg 2
a755bc19-48de-4a7a-893d-78c06ec572dd Environmental → Ground → Agricultural EF 3.1 kg 2
1fbc63f1-00c4-4ea9-b453-f8a28f9faac5 Environmental → Ground → Non-agricultural EF 3.1 kg 2
daa52e1a-6491-4c83-9632-bb91962ef6d2 Environmental → Ground → Unknown EF 3.1 kg 2
36450ae6-0bc8-4b63-9388-2c49fc689844 Environmental → Water → Long-term EF 3.1 kg 0
017a4a5b-5dd9-4349-b647-12ab0fd6f0cb Environmental → Water → Ocean EF 3.1 kg 2
4bb7643c-1c0a-4cd6-97a1-a60f9a3cf9ef Environmental → Water → Surface water EF 3.1 kg 2
c9768e91-45c1-43dd-ad3e-f764fb0b19a6 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-dc5307e163727452",
  "prefLabel": [
    {
      "@value": "Isonicotinaldehyde Oxime",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-(Hydroxyiminomethyl)pyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Pyridinaldoxime",
      "@language": "en",
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    },
    {
      "@value": "4-Pyridinealdoxime",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Pyridinecarboxaldehyde, oxime",
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    },
    {
      "@value": "Isonicotinaldehyde, oxime",
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    },
    {
      "@value": "Pyridine-4-carboxaldoxime",
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    },
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      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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    },
    {
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  ],
  "created_from": {
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    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "types": [
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  },
  "classifications": {
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  "@type": [
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}

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