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Heterocyclic building blocks

Khellinonequinone

Also known as 5-Acetyl-6-hydroxy-4,7-benzofurandione, 4,7-Benzofurandione, 5-acetyl-6-hydroxy-, 5-acetyl-6-hydroxy-1-benzofuran-4,7-dione

CAS 116754-42-8Formula C10H6O5Molar mass 206.15 g/mol
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Khellinonequinone chemical structure, C10H6O5, CAS 116754-42-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
116754-42-8
Formula
C10H6O5
Molar mass
206.15 g/mol
HS code
293299
Category
Heterocyclic building blocks

What is Khellinonequinone?

Plain description, key identifiers and synonyms

Khellinonequinone is a chemical substance with the molecular formula C10H6O5 and a molar mass of 206.15 g/mol. Its CAS registry number is 116754-42-8. The IUPAC name is 5-acetyl-4-hydroxy-1-benzofuran-6,7-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-acetyl-4-hydroxy-1-benzofuran-6,7-dione
CAS number
116754-42-8
Molecular formula
C10H6O5
UNII
WA39WCJ26H
InChIKey
MRYOZQCHZSVUTB-UHFFFAOYSA-N
InChI
InChI=1S/C10H6O5/c1-4(11)6-7(12)5-2-3-15-10(5)9(14)8(6)13/h2-3,12H,1H3
SMILES (canonical and isomeric)
CC(=O)C1=C(C2=C(C(=O)C1=O)OC=C2)O

Synonyms

  • 5-Acetyl-6-hydroxy-4,7-benzofurandione
  • 4,7-Benzofurandione, 5-acetyl-6-hydroxy-
  • 5-acetyl-6-hydroxy-1-benzofuran-4,7-dione

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
206.15 g/molcalc.
Exact mass
206.0215 Dacalc.
LogP (octanol/water)
0.9calc.
Topological polar surface area
84.58 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
1calc.
Heavy atoms
15calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.1calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1C=Cc2ccoc2C1=O

O=C1C=Cc2ccoc2C1=O

2 rings, 11 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Khellinonequinone suppliers

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Khellinonequinone price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Khellinonequinone is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Khellinonequinone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Khellinonequinone, based on the data on this page

What is Khellinonequinone?

Khellinonequinone is a chemical substance with the molecular formula C10H6O5 and a molar mass of 206.15 g/mol. Its CAS registry number is 116754-42-8. The IUPAC name is 5-acetyl-4-hydroxy-1-benzofuran-6,7-dione.

What is the CAS number of Khellinonequinone?

The CAS registry number of Khellinonequinone is 116754-42-8.

What is the molecular formula and weight of Khellinonequinone?

The molecular formula of Khellinonequinone is C10H6O5 and its molar mass is 206.15 g/mol.

What is Khellinonequinone used for?

Known uses and roles of Khellinonequinone include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Khellinonequinone hazardous?

No GHS hazard classification for Khellinonequinone is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Khellinonequinone?

Khellinonequinone is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Khellinonequinone?

Post a free request on CompoundList and suppliers of Khellinonequinone will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Khellinonequinone?

Suppliers quote Khellinonequinone on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Khellinonequinone

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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