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Product No: CG2606

1,8-Dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione, 98%

Name: 1,8-Dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
Brand: Chempure

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CAS Number

481-72-1

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IUPAC name	1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
canonical smiles	C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO
inchi	InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2
inchi key	YDQWDHRMZQUTBA-UHFFFAOYSA-N
molecular formula	C15H10O5
synonyms	Aloe-emodin Aloe emodin 481-72-1 Aloeemodin Aloe-emodine
Compound Description	Aloe emodin is a dihydroxyanthraquinone that is chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus Aloe. It has a role as an antineoplastic agent and a plant metabolite. It is a dihydroxyanthraquinone and an aromatic primary alcohol. It is functionally related to a chrysazin. Aloe-emodin is a natural product found in Rheum likiangense, Rheum franzenbachii, and other organisms with data available. See also: Frangula purshiana Bark .

Computed Properties

Molecular Weight:	270.24 g/mol
XLogP3:	1.8
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	1
Exact Mass:	270.05282342 g/mol
Monoisotopic Mass:	270.05282342 g/mol
Topological Polar Surface Area:	94.8 Å²
Heavy Atom Count:	20
Formal Charge:	0
Complexity:	421
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

Anthraquinone

Chrysophanic acid

Rhein

Danthron

Physcione

Dithianon

Anthralin

Purpurin

Quinizarin

1-Hydroxyanthraquinone

Lucidin

Aloe emodin

1-Chloroanthraquinone

Chrysophanol-9-anthrone

2-Chloroanthraquinone

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (97.78%) Eye Irrit. 2 (97.78%) 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 (97.78%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.78%): 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]

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*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	1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione
canonical smiles	C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO
inchi	InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2
inchi key	YDQWDHRMZQUTBA-UHFFFAOYSA-N
molecular formula	C15H10O5
synonyms	Aloe-emodin Aloe emodin 481-72-1 Aloeemodin Aloe-emodine
Compound Description	Aloe emodin is a dihydroxyanthraquinone that is chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus Aloe. It has a role as an antineoplastic agent and a plant metabolite. It is a dihydroxyanthraquinone and an aromatic primary alcohol. It is functionally related to a chrysazin. Aloe-emodin is a natural product found in Rheum likiangense, Rheum franzenbachii, and other organisms with data available. See also: Frangula purshiana Bark .

Computed Properties

Molecular Weight:	270.24 g/mol
XLogP3:	1.8
Hydrogen Bond Donor Count:	3
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	1
Exact Mass:	270.05282342 g/mol
Monoisotopic Mass:	270.05282342 g/mol
Topological Polar Surface Area:	94.8 Å²
Heavy Atom Count:	20
Formal Charge:	0
Complexity:	421
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

Anthraquinone

Chrysophanic acid

Rhein

Danthron

Physcione

Dithianon

Anthralin

Purpurin

Quinizarin

1-Hydroxyanthraquinone

Lucidin

Aloe emodin

1-Chloroanthraquinone

Chrysophanol-9-anthrone

2-Chloroanthraquinone

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (97.78%) Eye Irrit. 2 (97.78%) 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 (97.78%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.78%): 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]

Product No: CG2606

1,8-Dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione, 98%

Product No: CG2606

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: CG2606

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?