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Product No: CO4456

Acenaphthenequinone, 98%

Name: Acenaphthenequinone
Brand: Chempure

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CAS Number

82-86-0

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About this item

IUPAC name	acenaphthylene-1,2-dione
canonical smiles	C1=CC2=C3C(=C1)C(=O)C(=O)C3=CC=C2
inchi	InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H
inchi key	AFPRJLBZLPBTPZ-UHFFFAOYSA-N
molecular formula	C12H6O2
synonyms	Acenaphthenequinone 82-86-0 acenaphthylene-1,2-dione Acenaphthoquinone 1,2-ACENAPHTHYLENEDIONE
Compound Description	Acenaphthoquinone is an orthoquinone that is the 1,2-dioxo derivative of acenaphthene. It has a role as an epitope and a chain carrier. It derives from a hydride of an acenaphthene.

Computed Properties

Molecular Weight:	182.17 g/mol
XLogP3:	1.9
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	182.036779430 g/mol
Monoisotopic Mass:	182.036779430 g/mol
Topological Polar Surface Area:	34.1 Å²
Heavy Atom Count:	14
Formal Charge:	0
Complexity:	267
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

2-Hydroxy-1,4-naphthoquinone

9,10-Phenanthrenequinone

Acenaphthylene

Acenaphthene

1-Nitronaphthalene

Isatin

9-Fluorenone

Pyroquilon

Acenaphthenequinone

1-Naphthaldehyde

1,8-Naphthalic anhydride

1-Acetylisatin

1,8-Naphthalimide

Phenalen-1-one

2-Indanone

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	An irritant.

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	acenaphthylene-1,2-dione
canonical smiles	C1=CC2=C3C(=C1)C(=O)C(=O)C3=CC=C2
inchi	InChI=1S/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H
inchi key	AFPRJLBZLPBTPZ-UHFFFAOYSA-N
molecular formula	C12H6O2
synonyms	Acenaphthenequinone 82-86-0 acenaphthylene-1,2-dione Acenaphthoquinone 1,2-ACENAPHTHYLENEDIONE
Compound Description	Acenaphthoquinone is an orthoquinone that is the 1,2-dioxo derivative of acenaphthene. It has a role as an epitope and a chain carrier. It derives from a hydride of an acenaphthene.

Computed Properties

Molecular Weight:	182.17 g/mol
XLogP3:	1.9
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	182.036779430 g/mol
Monoisotopic Mass:	182.036779430 g/mol
Topological Polar Surface Area:	34.1 Å²
Heavy Atom Count:	14
Formal Charge:	0
Complexity:	267
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

2-Hydroxy-1,4-naphthoquinone

9,10-Phenanthrenequinone

Acenaphthylene

Acenaphthene

1-Nitronaphthalene

Isatin

9-Fluorenone

Pyroquilon

Acenaphthenequinone

1-Naphthaldehyde

1,8-Naphthalic anhydride

1-Acetylisatin

1,8-Naphthalimide

Phenalen-1-one

2-Indanone

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	An irritant.

Product No: CO4456

Acenaphthenequinone, 98%

Product No: CO4456

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CO4456

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?