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4-(3，4-Dihydroxyphenyl)-2-butanone - ≥96%, high purity , CAS No.61152-62-3

COA

Grade & Purity:

≥96%

Cas Number: 61152-62-3
Molecular Weight: 180.2
PubChem CID: 10197947

In stock

Item Number

B710583

Grouped product items
SKU	Size	Availability	Price	Qty
B710583-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$782.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass Benzenediols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Benzenediols
Intermediate Tree Nodes	Not available
Direct Parent	Catechols
Alternative Parents	1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol 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

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	4-(3,4-dihydroxyphenyl)butan-2-one
INCHI	InChI=1S/C10H12O3/c1-7(11)2-3-8-4-5-9(12)10(13)6-8/h4-6,12-13H,2-3H2,1H3
InChIKey	QIZQZQCADPIVCI-UHFFFAOYSA-N
Smiles	CC(=O)CCC1=CC(=C(C=C1)O)O
Isomeric SMILES	CC(=O)CCC1=CC(=C(C=C1)O)O
PubChem CID	10197947
Molecular Weight	180.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	180.200 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	180.079 Da
Monoisotopic Mass	180.079 Da
Topological Polar Surface Area	57.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	179.000
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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