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4'-Methyl-2,2'-bipyridine-4-carboxaldehyde

  • Name 4'-Methyl-2,2'-bipyridine-4-carboxaldehyde
  • EINECSN/A
  • CAS No. 104704-09-8
  • Density1.172 g/cm3
  • PSA42.85000
  • LogP2.26450
  • SolubilityN/A
  • Melting Point130-131 °C
  • FormulaC12H10N2O
  • Boiling Point368.7 °C at 760 mmHg
  • Molecular Weight198.224
  • Flash Point180.4 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 104704-09-8 (4-Formyl-4'-methyl-2,2'-bipyridine)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data63

4'-Methyl-2,2'-bipyridine-4-carboxaldehyde Specification

This chemical is called 4'-Methyl-2,2'-bipyridine-4-carboxaldehyde, and it can also be named as 4-Formyl-4'-methyl-2,2'-bipyridine; 4-Carboxaldehyde-4'-methyl-2,2'-bipyridine. With the molecular formula of C12H10N2O, its molecular weight is 198.22. The CAS registry number of this chemical is 104704-09-8.

Physical properties about 4'-Methyl-2,2'-bipyridine-4-carboxaldehyde are: (1)ACD/LogP: 1.448; (2)ACD/LogD (pH 5.5): 1.42; (3)ACD/LogD (pH 7.4): 1.45; (4)ACD/BCF (pH 5.5): 6.91; (5)ACD/BCF (pH 7.4): 7.42; (6)ACD/KOC (pH 5.5): 136.12; (7)ACD/KOC (pH 7.4): 146.04; (8)#H bond acceptors:3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.609; (11)Molar Refractivity: 58.605 cm3; (12)Molar Volume: 169.107 cm3; (13)Polarizability: 23.233 10-24cm3; (14)Surface Tension: 50.8730010986328 dyne/cm; (15)Density: 1.172 g/cm3; (16)Flash Point: 180.373 °C; (17)Enthalpy of Vaporization: 61.543 kJ/mol; (18)Boiling Point: 368.736 °C at 760 mmHg;

You can still convert the following datas into molecular structure:
1.SMILES: O=Cc2ccnc(c1nccc(c1)C)c2
2.InChI: InChI=1/C12H10N2O/c1-9-2-4-13-11(6-9)12-7-10(8-15)3-5-14-12/h2-8H,1H3
3.InChIKey: SMPJZGCAUYUJJE-UHFFFAOYAM

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