1-benzofuran-2(3h)-one

2(3H)-Benzofuranone
2,3-Dihydrobenzofuran-2-one
2-Benzofuranone
2-Coumaranone
2-Coumarone
3H-Benzofuran-2-one
Acetic acid, (o-hydroxyphenyl)-, γ-lactone
Benzeneacetic acid, 2-hydroxy-, γ-lactone
Benzo[b]furan-2(3H)-one
Cumaranone
Isophthalide
o-Hydroxyphenylacetic acid γ-lactone
α-Coumaranone

Property	Value
InChI2D key string chemrof:inchi2d_key_string	ACZGCWSMSTYWDQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H2
IUPAC name chemrof:IUPAC_name	1-benzofuran-2(3h)-one
Molecular formula chemrof:molecular_formula	C8H6O2
Molecular mass chemrof:molecular_mass	134.134
Monoisotopic mass chemrof:monoisotopic_mass	134.036779
SMILES string chemrof:smiles_string	O=C1Cc2ccccc2O1

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=553-86-6	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.008.230	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID70203829	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=227414	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL284584	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4K47Z4Q1E7	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.370K	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/68382	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=560719	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q27259814	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/2-Coumaranone	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
864aced3-c127-4782-a0d8-bad57740bac0	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
15155b44-a077-44ff-80b2-091fdc0136f8	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
24459373-059a-4a83-ba67-77719a643b7e	Environmental → Air → Indoor	EF 3.1	kg	2
9119f51c-9e69-44d1-a365-8d3687cf4764	Environmental → Air → Long-term	EF 3.1	kg	0
0727f69b-bb88-4001-8db8-9e850632611d	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
3d11945e-bc91-441d-856c-a99714731778	Environmental → Air → Unknown	EF 3.1	kg	2
a99c1c6c-0d91-4487-98c6-12e68df354f7	Environmental → Ground → Agricultural	EF 3.1	kg	2
74262097-adea-47ac-9f3b-81c2e576def2	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
418ad2f3-7d25-4902-ab8b-9f8544eb8d78	Environmental → Ground → Unknown	EF 3.1	kg	2
4b9a5a6a-7dad-49a5-85cc-d9af8aef4f6c	Environmental → Water → Long-term	EF 3.1	kg	0
9d8132ad-2e49-4baf-8c94-bed7251a3e24	Environmental → Water → Ocean	EF 3.1	kg	2
94f752a4-9e84-4403-83b5-ab2570005387	Environmental → Water → Surface water	EF 3.1	kg	2
5a34522a-fc75-4562-bdbf-df8a3d39b634	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "553-86-6"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=553-86-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=553-86-6"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "209-052-0"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=209-052-0"
      ],
      "provenance": {
        "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"
  ]
}

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

1-benzofuran-2(3h)-one

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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