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2-Isopropoxy-Pyridine-3-Carbaldehyde - ≥98%, high purity , CAS No.885278-10-4

COA

Grade & Purity:

≥98%

Cas Number: 885278-10-4
Molecular Weight: 165.19
PubChem CID: 42553128

In stock

Item Number

I731889

Grouped product items
SKU	Size	Availability	Price	Qty
I731889-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$41.90
I731889-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$84.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridine carboxaldehydes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridine carboxaldehydes
Intermediate Tree Nodes	Not available
Direct Parent	Pyridine carboxaldehydes
Alternative Parents	Aryl-aldehydes Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	3-pyridine carboxaldehyde - Aryl-aldehyde - Alkyl aryl ether - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde 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	2-propan-2-yloxypyridine-3-carbaldehyde
INCHI	InChI=1S/C9H11NO2/c1-7(2)12-9-8(6-11)4-3-5-10-9/h3-7H,1-2H3
InChIKey	GNTQOKGIVMJHQG-UHFFFAOYSA-N
Smiles	CC(C)OC1=C(C=CC=N1)C=O
Isomeric SMILES	CC(C)OC1=C(C=CC=N1)C=O
PubChem CID	42553128
Molecular Weight	165.19

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	165.190 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	165.079 Da
Monoisotopic Mass	165.079 Da
Topological Polar Surface Area	39.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	147.000
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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