2-Ethyl-1H-indene - ≥98% , CAS No.17059-50-6

CAS: 17059-50-6 Cat. No.: E735375 분자식: C₁₁H₁₂ 분자량: 144.21 PubChem CID: 582328

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98%

제품 특성

• ALogP: 3.1

이름과 식별자

• Pubchem Sid: 528756235
• 정식 스마일: CCC1=CC2=CC=CC=C2C1
• IUPAC Name: 2-ethyl-1H-indene
• InChIKey: BSHJHVHMLRKHBZ-UHFFFAOYSA-N
• INCHI: 1S/C11H12/c1-2-9-7-10-5-3-4-6-11(10)8-9/h3-7H,2,8H2,1H3
• 이성체 SMILES: CCC1=CC2=CC=CC=C2C1
• PubChem CID: 582328
• 분자량: 144.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Indenes and isoindenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Indenes and isoindenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indenes and isoindenes
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indene - Aromatic hydrocarbon - Branched unsaturated hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as indenes and isoindenes. These are compounds containing an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohexadiene 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: 144.210 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 144.094 Da
• Monoisotopic Mass: 144.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 167.000
• 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