6-Methylazulene , CAS No.1654-52-0

CAS: 1654-52-0 Cat. No.: M1334076 분자식: C₁₁H₁₀ 분자량: 142.2 EC 번호: 837-468-8

Storage

Room temperature

Shipped In

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Specifications

보관 조건

Room temperature

배송

Normal

이름과 식별자

• 정식 스마일: CC1=CC=C2C=CC=C2C=C1
• IUPAC Name: 6-methylazulene
• InChIKey: ZEQVWDSVAGZQEU-UHFFFAOYSA-N
• INCHI: 1S/C11H10/c1-9-5-7-10-3-2-4-11(10)8-6-9/h2-8H,1H3
• 분자량: 142.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 분류 Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Cyclic olefins
          • Level6 Azulenes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Cyclic olefins
• Direct Parent: Azulenes
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Azulene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as azulenes. These are polycyclic aromatic compounds containing the azulene skeleton, which consists of the cyclopentadiene ring fused to a cycloheptadiene ring.
• 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

화학 및 물리적 특성

• 분자량: 142.200 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 142.078 Da
• Monoisotopic Mass: 142.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 114.000
• 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