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3-cyanopyridine-4-carboxylic acid - 97%, high purity , CAS No.1060802-59-6

COA

Grade & Purity:

≥97%

Cas Number: 1060802-59-6
Molecular Weight: 148.12
MDL number: MFCD13189083
PubChem CID: 55303116

In stock

Item Number

C626703

Grouped product items
SKU	Size	Availability	Price
C626703-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$127.90
C626703-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$222.90
C626703-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$406.90
C626703-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$609.90
C626703-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,051.90

Basic Description

Synonyms	EN300-115558 \| 3-CYANOPYRIDINE-4-CARBOXYLIC ACID \| 1060802-59-6 \| SCHEMBL2848389 \| MFCD13189083 \| AKOS006386492 \| AS-42541 \| 3-Cyanoisonicotinicacid \| DTXSID10717738 \| AB67710 \| FT-0749432 \| 3-Cyanoisonicotinic acid
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinecarboxylic acids
Alternative Parents	3-pyridinecarbonitriles Heteroaromatic compounds Nitriles Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine carboxylic acid - 3-pyridinecarbonitrile - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Carbonitrile - Nitrile - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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	3-cyanopyridine-4-carboxylic acid
INCHI	InChI=1S/C7H4N2O2/c8-3-5-4-9-2-1-6(5)7(10)11/h1-2,4H,(H,10,11)
InChIKey	QFWSFAGTEUOLMZ-UHFFFAOYSA-N
Smiles	C1=CN=CC(=C1C(=O)O)C#N
Isomeric SMILES	C1=CN=CC(=C1C(=O)O)C#N
Alternate CAS	1060802-59-6
PubChem CID	55303116
Molecular Weight	148.12

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	148.120 g/mol
XLogP3	0.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	148.027 Da
Monoisotopic Mass	148.027 Da
Topological Polar Surface Area	74.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	206.000
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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