Consensus flow list

Acetic Acid; Zirconium

fo-d950a0c139345516

Identity

Type
Molecular complex
CAS
7585-20-8
EC
231-492-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Acetic Acid; Zirconium

This substance carries 3 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KEINVBIDJBPJHZ-UHFFFAOYSA-N, MFFVROSEPLMJAP-UHFFFAOYSA-J, MWTQURISCPGOQQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/2C2H4O2.Zr/c2*1-2(3)4;/h2*1H3,(H,3,4);, InChI=1S/4C2H4O2.Zr/c4*1-2(3)4;/h4*1H3,(H,3,4);, InChI=1S/4C2H4O2.Zr/c4*1-2(3)4;/h4*1H3,(H,3,4);/q;;;;+4/p-4
IUPAC name chemrof:IUPAC_name acetic acid;zirconium, ethanoic acid;zirconium, zirconium(4+) tetraacetate, zirconium(4+) tetraethanoate
Molecular formula chemrof:molecular_formula C4H8O4Zr, C8H12O8Zr, C8H16O8Zr
SMILES string chemrof:smiles_string CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.[Zr], CC(=O)O.CC(=O)O.[Zr], CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Zr+4]

Known URLs

12

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=7585-20-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.019.781 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.021.982 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.028.630 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20890586 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J205.653D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11141997 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/24237 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/73555260 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/85413523 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q42414121 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Zirconium(IV)_acetate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7a75e83d-a978-49d4-a40c-63bf2a4041b8 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08339fa5-8e46-40a9-a375-9d4551591305 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
08cbd50f-710f-40b2-9601-aea2531c54f0 Environmental → Air → Indoor EF 3.1 kg 4
da4cd241-ba61-4853-8f4f-ce5e425e73a9 Environmental → Air → Long-term EF 3.1 kg 0
6174de3c-8b58-488d-8485-08fae68a325d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ad2e28b4-41d0-4e40-b2e3-caa4d3991a71 Environmental → Air → Unknown EF 3.1 kg 4
bc851f13-c33c-4532-ad39-764b5ad42292 Environmental → Ground → Agricultural EF 3.1 kg 4
d43695f9-7704-4992-9c4d-ba042e816a36 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1c37c6a0-2d78-4f99-8e44-64e9b0c4de5d Environmental → Ground → Unknown EF 3.1 kg 4
866f118b-86d6-4364-af29-6dd742cb0c53 Environmental → Water → Long-term EF 3.1 kg 0
ed29a4b5-d26b-46f7-98e0-e9a3c6c3c74a Environmental → Water → Ocean EF 3.1 kg 4
72a366d8-7a4b-4aa8-8c64-24acf87429ac Environmental → Water → Surface water EF 3.1 kg 4
375365bf-f357-4cb2-b9c2-5e4fce37dfe8 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
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