Name: 6-ethoxypyridazine-3-carboxylic acid - ≥97% , CAS No.142054-74-8
Brand: Aladdin Scientific
SKU: E629057
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Ethers
Intermediate Tree Nodes	Not available
Direct Parent	Alkyl aryl ethers
Alternative Parents	Pyridazines and derivatives Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alkyl aryl ether - Pyridazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl 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

3D Structure

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	168.150 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	168.053 Da
Monoisotopic Mass	168.053 Da
Topological Polar Surface Area	72.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	163.000
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

Solution Calculators

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Reviews

Canonical Smiles	CCOC1=NN=C(C=C1)C(=O)O
IUPAC Name	6-ethoxypyridazine-3-carboxylic acid
InChIKey	HMNDGPIMVAZVTF-UHFFFAOYSA-N
INCHI	1S/C7H8N2O3/c1-2-12-6-4-3-5(7(10)11)8-9-6/h3-4H,2H2,1H3,(H,10,11)
Isomeric SMILES	CCOC1=NN=C(C=C1)C(=O)O
Alternate CAS	142054-74-8
PubChem CID	33675835
Molecular Weight	168.15

6-ethoxypyridazine-3-carboxylic acid - ≥97% , CAS No.142054-74-8

Specifications