3-Methyl-1H-indene - ≥97% , CAS No.767-60-2

CAS: 767-60-2 Cat. No.: M693529 Formula: C₁₀H₁₀ Peso molecolare: 130.19 PubChem CID: 13025

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

528759058

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528759058

Sorrisi canonici

CC1=CCC2=CC=CC=C12

IUPAC Name

3-methyl-1H-indene

InChIKey

COOKKJGOGWACMY-UHFFFAOYSA-N

INCHI

1S/C10H10/c1-8-6-7-9-4-2-3-5-10(8)9/h2-6H,7H2,1H3

Isomeri SMILES

CC1=CCC2=CC=CC=C12

PubChem CID

13025

Peso molecolare

130.19

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 130.190 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 130.078 Da
• Monoisotopic Mass: 130.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 155.000
• 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