2,​4-​Pentanedione, 1,​1'-​(1,​3-​dioxolan-​2-​ylidene)​bis- (9CI) (Q43146370)

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polyketide molecule with acetal and ketone functionality

• 2,4-Pentanedione, 1,1'-(1,3-dioxolan-2-ylidene)di- (7CI)

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Language	Label	Description	Also known as
English	2,​4-​Pentanedione, 1,​1'-​(1,​3-​dioxolan-​2-​ylidene)​bis- (9CI)	polyketide molecule with acetal and ketone functionality	2,4-Pentanedione, 1,1'-(1,3-dioxolan-2-ylidene)di- (7CI)

Statements

instance of

type of chemical entity

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subclass of

chemical compound

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chemical structure

COEOKXACMUCFFT-UHFFFAOYSA-N.png
326 × 315; 14 KB

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mass

270.110338296 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₃H₁₈O₆

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canonical SMILES

CC(=O)CC(=O)CC1(OCCO1)CC(=O)CC(=O)C

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Identifiers

InChI

InChI=1S/C13H18O6/c1-9(14)5-11(16)7-13(18-3-4-19-13)8-12(17)6-10(2)15/h3-8H2,1-2H3

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InChIKey

COEOKXACMUCFFT-UHFFFAOYSA-N

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CAS Registry Number

81782-35-6

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PubChem CID

86019077

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

COEOKXACMUCFFT-UHFFFAOYSA-N

DSSTox substance ID

DTXSID001036989

1 reference

matched by identifier from

InChIKey

InChIKey

COEOKXACMUCFFT-UHFFFAOYSA-N

 

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