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3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid - 98%, high purity , CAS No.80866-93-9

COA

Grade & Purity:

≥98%

Cas Number: 80866-93-9
Molecular Weight: 170.16
PubChem CID: 198592
PubChem SID: 488188592

In stock

Item Number

D352111

Grouped product items
SKU	Size	Availability	Price
D352111-1g	1g	3	$23.90
D352111-5g	5g	4	$90.90
D352111-25g	25g	2	$406.90

Basic Description

Synonyms	2,2-Dimethyl-4-oxo-3,4-dihydro-2H-pyran-6-carboxylicacid \| DTXSID20230761 \| SCHEMBL2113918 \| STR05224 \| A915834 \| EINECS 279-596-1 \| FT-0641786 \| STL512790 \| 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid, 98% \| Acide dimethyl-6,6 dihydro-5,6 p
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal
Product Description	application： 3,4-Dihydro-2,2-dimethyl-4-oxo-2H-pyran-6-carboxylic acid was used as photoprotective reagent during photolysis of the Salmonella sialidase.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrans
    - Subclass Pyranones and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrans
Subclass	Pyranones and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Dihydropyranones
Alternative Parents	Vinylogous esters Cyclic ketones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Dihydropyranone - Vinylogous ester - Cyclic ketone - Ketone - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as dihydropyranones. These are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond.
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

Pubchem Sid	488188592
IUPAC Name	2,2-dimethyl-4-oxo-3H-pyran-6-carboxylic acid
INCHI	InChI=1S/C8H10O4/c1-8(2)4-5(9)3-6(12-8)7(10)11/h3H,4H2,1-2H3,(H,10,11)
InChIKey	ANKQOBXQEHGUJT-UHFFFAOYSA-N
Smiles	CC1(CC(=O)C=C(O1)C(=O)O)C
Isomeric SMILES	CC1(CC(=O)C=C(O1)C(=O)O)C
WGK Germany	3
RTECS	UP6990000
Molecular Weight	170.16
Reaxy-Rn	121772
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121772&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
B23091343	Certificate of Analysis	Nov 16, 2022	D352111
B23091342	Certificate of Analysis	Nov 16, 2022	D352111
C2512003	Certificate of Analysis	Nov 16, 2022	D352111
B2310089	Certificate of Analysis	Nov 16, 2022	D352111

Chemical and Physical Properties

Melt Point(°C)	170 °C (dec.)
Molecular Weight	170.160 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	170.058 Da
Monoisotopic Mass	170.058 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	262.000
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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