(1Z)-2-methylcyclohexanone oxime , CAS No.1122-26-5

CAS: 1122-26-5 Cat. No.: Z940349 Formule: C₇H₁₃NO Poids moléculaire: 127.19 PubChem CID: 5362692

Storage

Room temperature

Specifications

Conditions de stockage de stockage

Room temperature

Noms et identifiants

• Sourires canoniques: CC1CCCCC1=NO
• IUPAC Name: (NZ)-N-(2-methylcyclohexylidene)hydroxylamine
• InChIKey: MDIFHVYPHRHKLB-FPLPWBNLSA-N
• INCHI: 1S/C7H13NO/c1-6-4-2-3-5-7(6)8-9/h6,9H,2-5H2,1H3/b8-7-
• Isomères SMILES: CC\1CCCC/C1=N/O
• PubChem CID: 5362692
• Poids moléculaire: 127.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Oximes

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Oximes
• Intermediate Tree Nodes: Not available
• Direct Parent: Oximes
• Alternative Parents: Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Oxime - Organic oxygen compound - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oximes. These are compounds containing the oxime functional group, with the general structure R1(R2)C=NOH.
• External Descriptors: Not available

Data sources

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

Propriétés chimiques et physiques

• Poids moléculaire: 127.180 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 127.1 Da
• Monoisotopic Mass: 127.1 Da
• Topological Polar Surface Area: 32.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 120.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Foire aux questions

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1122-26-5, the molecular formula is C7H13NO, and the molecular weight is 127.19 g/mol. InChIKey MDIFHVYPHRHKLB-FPLPWBNLSA-N.

How should this product be stored?

Store at room temperature.

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.