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7-methoxy-4,4-dimethyl-1,3-isochromandione

fo-2f762cb7757abfb2

Identity

Type
Neutral molecule
CAS
55974-25-9
EC
611-342-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 7-methoxy-4,4-dimethyl-1,3-isochromandione

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XAFPBWJMFWANOI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H12O4/c1-12(2)9-5-4-7(15-3)6-8(9)10(13)16-11(12)14/h4-6H,1-3H3
IUPAC name chemrof:IUPAC_name 7-methoxy-4,4-dimethyl-1,3-isochromandione
Molecular formula chemrof:molecular_formula C12H12O4
Molecular mass chemrof:molecular_mass 220.224
Monoisotopic mass chemrof:monoisotopic_mass 220.073559
SMILES string chemrof:smiles_string COc1ccc2c(c1)C(=O)OC(=O)C2(C)C

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=55974-25-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.112.312 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID70467621 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11499529 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72489734 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f7504257-d30a-4298-80a6-7dea8bd597c1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
76a1217e-2200-416f-8295-662dacc9b373 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3efa5af9-01ce-4ec2-a341-7667da6880c0 Environmental → Air → Indoor EF 3.1 kg 2
f968cfb5-3a69-4bdf-ba1e-13b5b8eaa628 Environmental → Air → Long-term EF 3.1 kg 0
abbea696-98f9-40b0-b00e-665f05bda17d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
dbd6198a-4145-4835-8274-fa88ed4c27cd Environmental → Air → Unknown EF 3.1 kg 2
bbf882fb-1176-4315-b55c-48e5109bf9e4 Environmental → Ground → Agricultural EF 3.1 kg 2
df6ec135-4d9d-46c7-8c36-3f2b404b10ac Environmental → Ground → Non-agricultural EF 3.1 kg 2
3f5ac353-a871-4b50-b5b4-2fd04c3447c3 Environmental → Ground → Unknown EF 3.1 kg 2
3a21a760-44d3-4489-9b3b-b38efe5c781d Environmental → Water → Long-term EF 3.1 kg 0
1ee806b2-a34f-4a2b-b06e-9d585642ce24 Environmental → Water → Ocean EF 3.1 kg 2
001ad67d-1a5b-494d-9fa3-4b1dcb619551 Environmental → Water → Surface water EF 3.1 kg 2
f8e95543-e099-4e93-b643-990b6953fb3a 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 
{
  "flow_object_id": "fo-2f762cb7757abfb2",
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  ],
  "altLabel": [
    {
      "@value": "1H-2-Benzopyran-1,3(4H)-dione, 7-methoxy-4,4-dimethyl-",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "7-Methoxy-4,4-dimethyl-1H-2-benzopyran-1,3(4H)-dione",
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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