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2,3-dihydro-2,2-dimethylbenzofuran-7-ol

fo-6f2d70d2e09027dd

Identity

Type
Neutral molecule
CAS
1563-38-8
EC
216-350-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2,3-dihydro-2,2-dimethylbenzofuran-7-ol

Alternative labels

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WJGPNUBJBMCRQH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H12O2/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,6H2,1-2H3
IUPAC name chemrof:IUPAC_name 2,3-dihydro-2,2-dimethylbenzofuran-7-ol
Molecular formula chemrof:molecular_formula C10H12O2
Molecular mass chemrof:molecular_mass 164.204
Monoisotopic mass chemrof:monoisotopic_mass 164.08373
SMILES string chemrof:smiles_string CC1(C)Cc2cccc(O)c2O1

Known URLs

14

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
beilstein beilstein:1423768 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1563-38-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38474 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.014.865 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2027414 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2259976 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/772HS1899G enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244708 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J7.515I enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55880 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15278 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3082 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=170430 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q27117868 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
0255c9bb-20a3-47a5-af3c-56c70e79efc1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1c1e5c8e-ecc7-424f-a3f8-79f739a1d765 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
13734053-a6b0-48ac-b561-b7c185e37e12 Environmental → Air → Indoor EF 3.1 kg 2
56b861ae-afab-43eb-92ed-cd9e07ef6c5e Environmental → Air → Long-term EF 3.1 kg 0
8923fc71-4721-42bf-a204-79913b6b40aa Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
79357034-8169-483c-a41e-4f72c8c1e114 Environmental → Air → Unknown EF 3.1 kg 2
b1c5b5e0-8c6f-47bf-ab40-f142cfaafaf2 Environmental → Ground → Agricultural EF 3.1 kg 2
0f3f8ed7-455c-4443-ade6-769c7cb68bd1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
046e59b2-4096-4b10-8531-ca6a7aa557e6 Environmental → Ground → Unknown EF 3.1 kg 2
db5a72cb-ab4e-4cfc-bdf5-9dc4216b65aa Environmental → Water → Long-term EF 3.1 kg 0
3f77917c-0855-4fe4-bc66-08bc0bb62cfe Environmental → Water → Ocean EF 3.1 kg 2
c58f6e88-dff2-430b-8437-95dcaba63b86 Environmental → Water → Surface water EF 3.1 kg 2
5efc5ea4-c9af-41f7-b6c9-9a32d4c8b64c Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-6f2d70d2e09027dd",
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  "altLabel": [
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    },
    {
      "@value": "2,2-Dimethyl-2,3-dihydro-7-benzofuranol",
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    },
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}

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