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5-Hydroxy-2，2-dimethyl-2H-chromene-6-carbaldehyde - ≥97%, high purity , CAS No.54287-99-9

COA

Grade & Purity:

≥97%

Cas Number: 54287-99-9
Molecular Weight: 204.22
PubChem CID: 11084938

In stock

Item Number

H725524

Grouped product items
SKU	Size	Availability	Price
H725524-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
H725524-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$26.90
H725524-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$105.90

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	Aryl-aldehydes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	2,2-dimethyl-1-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - Aryl-aldehyde - Alkyl aryl ether - Benzenoid - Vinylogous acid - Oxacycle - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - 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	5-hydroxy-2,2-dimethylchromene-6-carbaldehyde
INCHI	InChI=1S/C12H12O3/c1-12(2)6-5-9-10(15-12)4-3-8(7-13)11(9)14/h3-7,14H,1-2H3
InChIKey	VLHVXYPFWRHKHE-UHFFFAOYSA-N
Smiles	CC1(C=CC2=C(O1)C=CC(=C2O)C=O)C
Isomeric SMILES	CC1(C=CC2=C(O1)C=CC(=C2O)C=O)C
PubChem CID	11084938
Molecular Weight	204.22

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	204.220 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	204.079 Da
Monoisotopic Mass	204.079 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	283.000
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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