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3，4-Dihydro-2，2-dimethyl-4-oxo-2H-1-benzopyran-6-carboxylic acid - ≥94%, high purity , CAS No.65372-54-5

COA

Grade & Purity:

≥94%

Cas Number: 65372-54-5
Molecular Weight: 220.22
PubChem CID: 11746130

In stock

Item Number

D726240

Grouped product items
SKU	Size	Availability	Price
D726240-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$318.90
D726240-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$540.90
D726240-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,578.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Not available
Direct Parent	2,2-dimethyl-1-benzopyrans
Alternative Parents	Chromones Aryl alkyl ketones Alkyl aryl ethers Benzenoids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2,2-dimethyl-1-benzopyran - Chromone - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Benzenoid - Ketone - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organic oxide - Hydrocarbon derivative - Aldehyde - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.
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	2,2-dimethyl-4-oxo-3H-chromene-6-carboxylic acid
INCHI	InChI=1S/C12H12O4/c1-12(2)6-9(13)8-5-7(11(14)15)3-4-10(8)16-12/h3-5H,6H2,1-2H3,(H,14,15)
InChIKey	PTOMGSWLGSRLCK-UHFFFAOYSA-N
Smiles	CC1(CC(=O)C2=C(O1)C=CC(=C2)C(=O)O)C
Isomeric SMILES	CC1(CC(=O)C2=C(O1)C=CC(=C2)C(=O)O)C
PubChem CID	11746130
Molecular Weight	220.22

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	220.220 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	220.074 Da
Monoisotopic Mass	220.074 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	321.000
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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