6-(3-Oxocyclohexyl)hexanenitrile , CAS No.898784-97-9

CAS: 898784-97-9 Cat. No.: O947388 Fórmula: C12H19NO Peso molecular: 193.29 PubChem CID: 24723958
Disponível para encomenda
Storage
Room temperature
★
Size
Alemanha (EU)
USA*
Price
Qty
1g
O947388-1g
Sob encomenda · 8–12 semanas
671,54€
2g
O947388-2g
Sob encomenda · 8–12 semanas
1030,79€
5g
O947388-5g
Sob encomenda · 8–12 semanas
2154,51€
Enter a quantity for the sizes you want to add.
🧪

Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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

Condições de armazenamento de armazenamento
Room temperature
Nomes e identificadores
Sorrisos canónicosC1CC(CC(=O)C1)CCCCCC#N
IUPAC Name6-(3-oxocyclohexyl)hexanenitrile
InChIKeyHRTVFXYIYSTTLL-UHFFFAOYSA-N
INCHI1S/C12H19NO/c13-9-4-2-1-3-6-11-7-5-8-12(14)10-11/h11H,1-8,10H2
SMILES isoméricas C1CC(CC(=O)C1)CCCCCC#N
PubChem CID 24723958
Peso molecular 193.29

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

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClasseOrganooxygen compounds
SubclassCarbonyl compounds
Intermediate Tree Nodes Ketones
Direct ParentCyclic ketones
Alternative Parents Nitriles  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homomonocyclic compounds
Substituents Cyclic ketone - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic homomonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Peso molecular193.280 g/mol
XLogP32.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass193.147 Da
Monoisotopic Mass193.147 Da
Topological Polar Surface Area40.900 Ų
Heavy Atom Count14
Formal Charge0
Complexity226.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

Avaliações dos Clientes

Perguntas frequentes

How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 898784-97-9, the molecular formula is C12H19NO, and the molecular weight is 193.29 g/mol. InChIKey HRTVFXYIYSTTLL-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.