Methylcymantrene , CAS No.25511

CAS: 25511 Cat. No.: M1222255 Formula: C₉H₇MnO₃- Peso molecolare: 218.09 Numero EC: 235-166-5

Storage

Room temperature

Shipped In

Normal

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

Sorrisi canonici

CC1=C[CH-]C=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]

IUPAC Name

carbon monoxide;manganese;2-methylcyclopenta-1,3-diene

InChIKey

IYSGJCJSRBFZSZ-UHFFFAOYSA-N

INCHI

1S/C6H7.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h2-5H,1H3;;;;/q-1;;;;

Peso molecolare

218.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Aromatic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Aromatic hydrocarbons
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic hydrocarbons
• Alternative Parents: Organic transition metal salts Unsaturated hydrocarbons Organic oxygen compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Not available
• Substituents: Aromatic hydrocarbon - Organic transition metal salt - Organic oxygen compound - Unsaturated hydrocarbon - Hydrocarbon derivative - Organic salt - Organic cation - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as aromatic hydrocarbons. These are aromatic compounds that are made up of carbon and hydrogen atoms only.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 218.090 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 217.978 Da
• Monoisotopic Mass: 217.978 Da
• Topological Polar Surface Area: 3.000 Ų
• Heavy Atom Count: 13
• Formal Charge: -1
• Complexity: 43.300
• 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: 5

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