Consensus flow list

Identity

Type
Neutral molecule
CAS
4443-26-9
EC
224-675-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 6-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)hexanoic Acid

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QJDSLDWVMCWWCO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H15NO4/c16-12(17)8-2-1-5-9-15-13(18)10-6-3-4-7-11(10)14(15)19/h3-4,6-7H,1-2,5,8-9H2,(H,16,17)
IUPAC name chemrof:IUPAC_name 6-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)hexanoic Acid
Molecular formula chemrof:molecular_formula C14H15NO4
Molecular mass chemrof:molecular_mass 261.277
Monoisotopic mass chemrof:monoisotopic_mass 261.100108
SMILES string chemrof:smiles_string O=C(O)CCCCCN1C(=O)c2ccccc2C1=O

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=4443-26-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.022.433 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40196173 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL79256 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/940CG562FX enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J205.829D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/78185 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q83069251 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f8e13cff-23ad-4bdc-9f44-cb0f6bf0c6a0 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fb5ef5d5-55ca-4eb0-a06b-756abff9905f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
40538dae-4ce7-4b54-8d07-9870e70d3376 Environmental → Air → Indoor EF 3.1 kg 4
609afda3-16ac-4f3b-a1e3-01508217400d Environmental → Air → Long-term EF 3.1 kg 0
2ba0a990-5364-4d73-896e-211e75eed691 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
1fd70e15-6cd8-407d-ae40-8e6e26fcd5bb Environmental → Air → Unknown EF 3.1 kg 4
c596f2e0-da67-4d31-96c8-d3e991aab7e7 Environmental → Ground → Agricultural EF 3.1 kg 4
bbefc258-6758-4d0a-b0f9-f20a2825561a Environmental → Ground → Non-agricultural EF 3.1 kg 4
d08e2eeb-f5d1-4e34-9e42-1e5943b971de Environmental → Ground → Unknown EF 3.1 kg 4
1eb68bec-4518-45d8-899f-058f7609cd5c Environmental → Water → Long-term EF 3.1 kg 0
9bdc47f4-e1ad-44ae-90b2-e546cbcea749 Environmental → Water → Ocean EF 3.1 kg 4
d0b12706-2849-4761-bdc7-ebea1bb9e515 Environmental → Water → Surface water EF 3.1 kg 4
df904c1f-6964-4015-98dd-f381bc2e106f 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
{
  "flow_object_id": "fo-0afa213fb9711307",
  "prefLabel": [
    {
      "@value": "6-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)hexanoic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Dihydro-1,3-dioxo-2H-isoindole-2-hexanoic acid",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Isoindolinehexanoic acid, 1,3-dioxo-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2H-Isoindole-2-hexanoic acid, 1,3-dihydro-1,3-dioxo-",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "6-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)hexanoic acid",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "6-(1,3-Dioxoisoindolin-2-yl)hexanoic acid",
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    },
    {
      "@value": "6-Phthalimidohexanoic acid",
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    },
    {
      "@value": "Phthalimidocapronic acid",
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      }
    },
    {
      "@value": "ε-Phthalimidocaproic acid",
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}

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