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Small Molecules & Compound Libraries
8-Acetyl-7-methoxycoumarin , CAS No.89019-07-8

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8-Acetyl-7-methoxycoumarin , CAS No.89019-07-8

COA

Cas Number: 89019-07-8
Molecular Weight: 218.2
PubChem CID: 14116752

In stock

Item Number

A669191

Grouped product items
SKU	Size	Availability	Price	Qty
A669191-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
A669191-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	8-Acetyl-7-methoxycoumarin \| 8-acetyl-7-methoxy-2H-chromen-2-one \| 8-ACETYL-7-METHOXYCHROMEN-2-ONE \| DTXSID20556130 \| BDBM50332024 \| MFCD00270164 \| AKOS016009510 \| AS-62494 \| PD183248 \| 8-Acetyl-7-methoxy-2H-1-benzopyran-2-one \| FT-0687989 \| E74255 \| J-51

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Coumarins and derivatives

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Coumarins and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Coumarins and derivatives
Alternative Parents	1-benzopyrans Acetophenones Aryl alkyl ketones Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Coumarin - Benzopyran - 1-benzopyran - Acetophenone - Anisole - Phenol ether - Aryl ketone - Aryl alkyl ketone - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Ketone - Ether - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
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

Product Properties

ALogP	1.6

Associated Targets(Human)

CA9 Tclin Carbonic anhydrase 9 (1 Activities)

Discover Target: CA9

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

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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

CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

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

Associated Targets(non-human)

Aorta (2975 Activities)

Explore this target

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

IUPAC Name	8-acetyl-7-methoxychromen-2-one
INCHI	InChI=1S/C12H10O4/c1-7(13)11-9(15-2)5-3-8-4-6-10(14)16-12(8)11/h3-6H,1-2H3
InChIKey	OTYBDEHZHXKGBO-UHFFFAOYSA-N
Smiles	CC(=O)C1=C(C=CC2=C1OC(=O)C=C2)OC
Isomeric SMILES	CC(=O)C1=C(C=CC2=C1OC(=O)C=C2)OC
PubChem CID	14116752
Molecular Weight	218.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	218.200 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	218.058 Da
Monoisotopic Mass	218.058 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	334.000
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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