Anthrone - ≥96% , CAS No.90-44-8

CAS: 90-44-8 Cat. No.: A140968 Formula: C₁₄H₁₀O Molecular Weight: 194.23 Beilstein Registry Number: 1910173 EC Number: 201-994-0

GRADE & PURITY ≥96%

Synonyms

9-Oxoanthracene | DTXCID0029391 | DTXSID1049431 | FP0FJ7K744 | A0509 | 9-anthrone | SY010357 | Epitope ID:116188 | Anthracen-9(10H)-one (Anthrone) | SCHEMBL18143 | ANTHRONE | Anthrone, analytical standard | EN300-19192 | AP-065/41069590 | (10H)-9-Anthrace

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

Anthrone is a trycyclic aromatic hydrocarbon that can be used to determine hydrocarbons using a colorimetric method. It can help estimate carbohydrates in yeast and plant extracts.
An aromatic hydrocarbon used to determine hydrocarbons.

Specifications

Synonyms

9-Oxoanthracene | DTXCID0029391 | DTXSID1049431 | FP0FJ7K744 | A0509 | 9-anthrone | SY010357 | Epitope ID:116188 | Anthracen-9(10H)-one (Anthrone) | SCHEMBL18143 | ANTHRONE | Anthrone, analytical standard | EN300-19192 | AP-065/41069590 | (10H)-9-Anthrace

Specifications & Purity

≥96%

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Purity

≥96%

Names and Identifiers

Pubchem Sid

504751226

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751226

Canonical Smiles

C1C2=CC=CC=C2C(=O)C3=CC=CC=C31

IUPAC Name

10H-anthracen-9-one

InChIKey

RJGDLRCDCYRQOQ-UHFFFAOYSA-N

INCHI

1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2

Isomeric SMILES

C1C2=CC=CC=C2C(=O)C3=CC=CC=C31

WGK Germany

3

RTECS

CB8925500

Molecular Weight

194.23

Beilstein

1910173

Reaxy-Rn

1910173

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910173&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Aryl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• External Descriptors: anthracenes

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HaCaT (4069 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Txnrd2 Thioredoxin reductase 2, mitochondrial (18 Activities)

Discover Target: Txnrd2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethyl acetate (20 mg/ml), water (0.5 mg/ml at 20 °C), acetone, ethanol (very slightly), and ether (slightly).
• Sensitivity: Light and Air sensitive.
• x_boil_point_char: 721°C
• x_melt_point_char: 155°C
• Molecular Weight: 194.230 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 194.073 Da
• Monoisotopic Mass: 194.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 234.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place, protected from light, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 90-44-8, the molecular formula is C14H10O, and the molecular weight is 194.23 g/mol. InChIKey RJGDLRCDCYRQOQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.