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10-Hydroxy-1-(2-hydroxy-3，4-dimethoxy-6-methylphenyl)decan-1-one - ≥98%, high purity , CAS No.104966-97-4

COA

Grade & Purity:

≥98%

Cas Number: 104966-97-4
Molecular Weight: 338.45
PubChem CID: 12832666

In stock

Item Number

H727136

Grouped product items
SKU	Size	Availability	Price
H727136-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$68.90
H727136-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$279.90
H727136-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,339.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Butyrophenones Dimethoxybenzenes Methoxyphenols Fatty alcohols Anisoles Aryl alkyl ketones Benzoyl derivatives Meta cresols Phenoxy compounds Toluenes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Butyrophenone - Methoxyphenol - Dimethoxybenzene - O-dimethoxybenzene - Fatty alcohol - Benzoyl - Phenoxy compound - Methoxybenzene - M-cresol - Phenol ether - Aryl alkyl ketone - Anisole - Phenol - Toluene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Vinylogous acid - Ether - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
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

Names and Identifiers

IUPAC Name	10-hydroxy-1-(2-hydroxy-3,4-dimethoxy-6-methylphenyl)decan-1-one
INCHI	InChI=1S/C19H30O5/c1-14-13-16(23-2)19(24-3)18(22)17(14)15(21)11-9-7-5-4-6-8-10-12-20/h13,20,22H,4-12H2,1-3H3
InChIKey	WBYOLDFLFONXGS-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C(=C1C(=O)CCCCCCCCCO)O)OC)OC
Isomeric SMILES	CC1=CC(=C(C(=C1C(=O)CCCCCCCCCO)O)OC)OC
PubChem CID	12832666
Molecular Weight	338.45

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	338.400 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Exact Mass	338.209 Da
Monoisotopic Mass	338.209 Da
Topological Polar Surface Area	76.000 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	347.000
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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