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Chemikalien & Biochemikalien
Bausteine
Heterocyclische Bausteine
Ethyl 5-cyano-6-hydroxynicotinate - ≥95% , CAS No.74443-00-8

Ethyl 5-cyano-6-hydroxynicotinate - ≥95% , CAS No.74443-00-8

Name: Ethyl 5-cyano-6-hydroxynicotinate - ≥95% , CAS No.74443-00-8
SKU: E1308210
Availability: InStock

CAS: 74443-00-8 Cat. No.: E1308210 Summenformel: C₉H₈N₂O₃ Molekulargewicht: 192.17 PubChem CID: 12631995

COA

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GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications Namen und Kennungen Documentation Advanced Data Taxonomic Classification 3D-Struktur Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen

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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

CCOC(=O)C1=CNC(=O)C(=C1)C#N

IUPAC Name

ethyl 5-cyano-6-oxo-1H-pyridine-3-carboxylate

InChIKey

VQGMRETZBGIACU-UHFFFAOYSA-N

INCHI

1S/C9H8N2O3/c1-2-14-9(13)7-3-6(4-10)8(12)11-5-7/h3,5H,2H2,1H3,(H,11,12)

Isomere SMILES

CCOC(=O)C1=CNC(=O)C(=C1)C#N

PubChem CID

12631995

Molekulargewicht

192.17

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Klasse	Pyridines and derivatives
Subclass	Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinecarboxylic acids
Alternative Parents	Dihydropyridinecarboxylic acids and derivatives 3-pyridinecarbonitriles Pyridinones Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acid esters Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Dihydropyridinecarboxylic acid derivative - Pyridine carboxylic acid - 3-pyridinecarbonitrile - Dihydropyridine - Pyridinone - Hydropyridine - Vinylogous amide - Heteroaromatic compound - Lactam - Carboxylic acid ester - Azacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Cyanide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Beschreibung	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

3D-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

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

Analytical Chart:

Chemische und physikalische Eigenschaften

Molekulargewicht	192.170 g/mol
XLogP3	0.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	192.053 Da
Monoisotopic Mass	192.053 Da
Topological Polar Surface Area	79.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	384.000
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

Lösungsrechner

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