Product Name

  • Name

    Ethanone, 1-(2-indolizinyl)- (9CI)

  • EINECS
  • CAS No. 58475-97-1
  • Article Data5
  • CAS DataBase
  • Density 1.1 g/cm3
  • Solubility
  • Melting Point 118-120 °C (decomp)
  • Formula C10H9NO
  • Boiling Point
  • Molecular Weight 159.188
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 58475-97-1 (Ethanone, 1-(2-indolizinyl)- (9CI))
  • Hazard Symbols
  • Synonyms 1-Indolizin-2-ylethanone;
  • PSA 21.48000
  • LogP 2.14190

Ethanone,1-(2-indolizinyl)- Specification

The Ethanone, 1-(2-indolizinyl)-, with the CAS registry number of 58475-97-1, is also known as Ethanone, 1-(2-indolizinyl)- (9CI). It belongs to the product category of Acetylgroup. This chemical's molecular formula is C10H9NO and molecular weight is 159.18456. What's more, its systematic name is called 1-Indolizin-2-ylethanone.

Physical properties about Ethanone, 1-(2-indolizinyl)- are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 21.48 Å2; (9)Index of Refraction: 1.585; (10)Molar Refractivity: 48.15 cm3; (11)Molar Volume: 143.6 cm3; (12)Surface Tension: 40.8 dyne/cm; (13)Density: 1.1 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)c1cc2ccccn2c1
(2) InChI: InChI=1/C10H9NO/c1-8(12)9-6-10-4-2-3-5-11(10)7-9/h2-7H,1H3
(3) InChIKey: YUQPUNMMDJWKAK-UHFFFAOYAV

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