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Chromone-3-carboxylicacid - 97%, high purity , CAS No.39079-62-4

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Chromone-3-carboxylicacid - 97%, high purity , CAS No.39079-62-4

COA

Grade & Purity:

≥97%

Cas Number: 39079-62-4
Molecular Weight: 190.15
Beilstein Registry Number: 18(5)8,320
MDL number: MFCD00017338
PubChem CID: 181620
PubChem SID: 488188518

In stock

Item Number

C134144

Grouped product items
SKU	Size	Availability	Price
C134144-200mg	200mg	1	$9.90
C134144-1g	1g	≥10	$34.90
C134144-5g	5g	5	$112.90
C134144-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$504.90

View related series

Benzopyrans (61) Six-Membered Heterocyclic Compounds (1696)

Basic Description

Synonyms	4-oxo-4H-chromene-3-carboxylic acid \| RF 01275 \| PD182299 \| SCHEMBL1253672 \| MFCD00017338 \| Chromone-3-carboxylic acid, 97% \| 4-oxo-chromene-3-carboxylic acid \| 4-oxochromene-3-carboxylic acid \| 3-carboxychromone \| 4-Oxo-4H-1-benzopyran-3-carboxylic acid
Specifications & Purity	≥97%
Shipped In	Normal
Product Description	Chromone-3-carboxylic acid is a chromone derivative. Its potential as an antioxidant in charge transfer (CT) processes has been assessed by surface-enhanced Raman scattering (SERS) analysis of chromone 3-carboxylic acid adsorbed on silver colloids Chromone-3-carboxylic acid may be used in the preparation of: . chromane-2,4-diones . chromone-3-carboxamides . 5-(2-hydroxyphenyl)isoxazole . chromone-2-carboxamides . chromone-2-carboxamido-3-esters

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	Chromones
Alternative Parents	Pyranones and derivatives Benzenoids Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chromone - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
External Descriptors	Not available
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)

MAOB Tclin Amine oxidase [flavin-containing] B (2 Activities)

Discover Target: MAOB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

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

Associated Targets(non-human)

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

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

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	488188518
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188518
IUPAC Name	4-oxochromene-3-carboxylic acid
INCHI	InChI=1S/C10H6O4/c11-9-6-3-1-2-4-8(6)14-5-7(9)10(12)13/h1-5H,(H,12,13)
InChIKey	PCIITXGDSHXTSN-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=O)C(=CO2)C(=O)O
Isomeric SMILES	C1=CC=C2C(=C1)C(=O)C(=CO2)C(=O)O
WGK Germany	3
Molecular Weight	190.15
Beilstein	18(5)8,320
Reaxy-Rn	1074111
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1074111&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
D1925110	Certificate of Analysis	Oct 10, 2024	C134144
L2108265	Certificate of Analysis	Sep 21, 2023	C134144
L2108263	Certificate of Analysis	Sep 21, 2023	C134144
C23281075	Certificate of Analysis	Apr 08, 2023	C134144
L2209198	Certificate of Analysis	Dec 23, 2022	C134144
K2230133	Certificate of Analysis	Dec 09, 2022	C134144

Chemical and Physical Properties

Sensitivity	Heat Sensitive
Melt Point(°C)	202-205°C
Molecular Weight	190.150 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	190.027 Da
Monoisotopic Mass	190.027 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	305.000
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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