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1-Anthracenecarboxylic Acid - 99%, high purity , CAS No.607-42-1

COA

Grade & Purity:

≥99%

Cas Number: 607-42-1
Molecular Weight: 222.24
Beilstein Registry Number: 9(3)3492
MDL number: MFCD00142583
PubChem CID: 150789
PubChem SID: 504757336

In stock

Item Number

A151377

Grouped product items
SKU	Size	Availability	Price
A151377-100mg	100mg	3	$52.90
A151377-250mg	250mg	3	$100.90
A151377-1g	1g	2	$310.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	InChI=1/C15H10O2/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-9H,(H,16,17) \| Anthracenecarboxylic acid \| Anthracene-1-carboxylic acid \| MFCD00142583 \| 1-Antheacenecarboxylic acid \| A832868 \| AC-27839 \| SCHEMBL123193 \| 1-Anthracene Carboxylic Aci
Specifications & Purity	≥99%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Anthracenes
    - Subclass Anthracenecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Anthracenes
Subclass	Anthracenecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Anthracenecarboxylic acids
Alternative Parents	Naphthalenecarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Anthracene carboxylic acid - 1-naphthalenecarboxylic acid or derivatives - 1-naphthalenecarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system.
External Descriptors	anthroic acid
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504757336
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504757336
IUPAC Name	anthracene-1-carboxylic acid
INCHI	InChI=1S/C15H10O2/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-9H,(H,16,17)
InChIKey	CCFAKBRKTKVJPO-UHFFFAOYSA-N
Smiles	C1=CC=C2C=C3C(=CC2=C1)C=CC=C3C(=O)O
Isomeric SMILES	C1=CC=C2C=C3C(=CC2=C1)C=CC=C3C(=O)O
Molecular Weight	222.24
Beilstein	9(3)3492
Reaxy-Rn	2212362
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212362&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
G2312610	Certificate of Analysis	Jun 30, 2023	A151377
G2312614	Certificate of Analysis	Jun 30, 2023	A151377
G2312606	Certificate of Analysis	Jun 30, 2023	A151377
G2312618	Certificate of Analysis	Jun 30, 2023	A151377
G2312617	Certificate of Analysis	Jun 30, 2023	A151377
G2312608	Certificate of Analysis	Jun 30, 2023	A151377

Chemical and Physical Properties

Melt Point(°C)	252 °C
Molecular Weight	222.240 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	222.068 Da
Monoisotopic Mass	222.068 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	299.000
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

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