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4，5-dimethoxy-2-methylbenzaldehyde - ≥95%, high purity , CAS No.7721-62-2

COA

Grade & Purity:

≥95%

Cas Number: 7721-62-2
Molecular Weight: 180.21
PubChem CID: 82141

In stock

Item Number

D694807

Grouped product items
SKU	Size	Availability	Price	Qty
D694807-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$160.90
D694807-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$429.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Methoxybenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Methoxybenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Dimethoxybenzenes
Alternative Parents	Phenoxy compounds Benzoyl derivatives Benzaldehydes Anisoles Toluenes Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Dimethoxybenzene - O-dimethoxybenzene - Anisole - Benzaldehyde - Benzoyl - Phenol ether - Phenoxy compound - Toluene - Aryl-aldehyde - Alkyl aryl ether - Ether - Organooxygen compound - Aldehyde - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
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	4,5-dimethoxy-2-methylbenzaldehyde
INCHI	InChI=1S/C10H12O3/c1-7-4-9(12-2)10(13-3)5-8(7)6-11/h4-6H,1-3H3
InChIKey	RMIZEUOAFVZZJG-UHFFFAOYSA-N
Smiles	CC1=CC(=C(C=C1C=O)OC)OC
Isomeric SMILES	CC1=CC(=C(C=C1C=O)OC)OC
PubChem CID	82141
Molecular Weight	180.21

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	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	180.079 Da
Monoisotopic Mass	180.079 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	170.000
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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