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(Q81981675)
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4,8-Dioxa-3H-perfluorononanoic acid
chemical compound
DONA
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
per- and polyfluoroalkyl substances
0 references
chemical structure
DONA skeletal.svg
478 × 149; 10 KB
0 references
mass
377.9761471839999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₇H₂F₁₂O₄
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canonical SMILES
C(C(C(=O)O)(F)F)(OC(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)F
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different from
Ammonium 4,8-dioxa-3H-perfluorononanoate
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Identifiers
InChI
InChI=1S/C7H2F12O4/c8-1(3(9,10)2(20)21)22-5(13,14)4(11,12)6(15,16)23-7(17,18)19/h1H,(H,20,21)
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InChIKey
AFDRCEOKCOUICI-UHFFFAOYSA-N
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CAS Registry Number
919005-14-4
1 reference
InChIKey
AFDRCEOKCOUICI-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=919005-14-4
ChemSpider ID
78432840
0 references
PubChem CID
52915299
1 reference
matched by identifier from
InChIKey
InChIKey
AFDRCEOKCOUICI-UHFFFAOYSA-N
UniChem compound ID
34099012
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Athens_Univ-AU593280
1 reference
InChIKey
AFDRCEOKCOUICI-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Athens_Univ-AU593282
1 reference
InChIKey
AFDRCEOKCOUICI-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Athens_Univ-AU593283
1 reference
InChIKey
AFDRCEOKCOUICI-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Athens_Univ-AU593281
1 reference
InChIKey
AFDRCEOKCOUICI-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID40881350
1 reference
matched by identifier from
InChIKey
InChIKey
AFDRCEOKCOUICI-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID601022603
0 references
EC number
700-835-7
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ECHA Substance Infocard ID
100.221.098
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Probes And Drugs ID
PD166863
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