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7-hydroxy-3-methyl-2H-chromen-2-one , CAS No.4069-67-4

COA

Cas Number: 4069-67-4
Molecular Weight: 176.17
PubChem CID: 13235410

In stock

Item Number

H669188

Grouped product items
SKU	Size	Availability	Price	Qty
H669188-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
H669188-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	7-hydroxy-3-methyl-2H-chromen-2-one \| 7-hydroxy-3-methylchromen-2-one \| 2H-1-Benzopyran-2-one, 7-hydroxy-3-methyl- \| BDBM50305313 \| MFCD09263984 \| AKOS006330322 \| AB50338 \| C90473

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Coumarins and derivatives
Subclass	Hydroxycoumarins
Intermediate Tree Nodes	Not available
Direct Parent	7-hydroxycoumarins
Alternative Parents	1-benzopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
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)

HSD17B3 Tchem Testosterone 17-beta-dehydrogenase 3 (1 Activities)

Discover Target: HSD17B3

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

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	7-hydroxy-3-methylchromen-2-one
INCHI	InChI=1S/C10H8O3/c1-6-4-7-2-3-8(11)5-9(7)13-10(6)12/h2-5,11H,1H3
InChIKey	ZLQJVGSVJRBUNL-UHFFFAOYSA-N
Smiles	CC1=CC2=C(C=C(C=C2)O)OC1=O
Isomeric SMILES	CC1=CC2=C(C=C(C=C2)O)OC1=O
PubChem CID	13235410
Molecular Weight	176.17

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	176.170 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	176.047 Da
Monoisotopic Mass	176.047 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	257.000
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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