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1,8-Naphthyridin-2(1H)-one

  • Name 1,8-Naphthyridin-2(1H)-one
  • EINECSN/A
  • CAS No. 15936-09-1
  • Density1.267g/cm3
  • PSA45.75000
  • LogP0.92310
  • SolubilityN/A
  • Melting Point197-199 °C(Solv: benzene (71-43-2))
  • FormulaC8H6N2O
  • Boiling Point391.8 °C at 760 mmHg
  • Molecular Weight146.148
  • Flash Point190.8 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 15936-09-1 (1,8-NAPHTHYRIDIN-2(8H)-ONE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data16

1,8-Naphthyridin-2(1H)-one Specification

The 1,8-Naphthyridin-2(1H)-one, with CAS registry number 15936-09-1, has the systematic name of 1,8-naphthyridin-2(1H)-one. Besides this, it is also called 2-Hydroxy-1,8-naphthyridine. And the chemical formula of this chemical is C8H6N2O.

Physical properties of 1,8-Naphthyridin-2(1H)-one: (1)ACD/LogP: 0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.02; (4)ACD/LogD (pH 7.4): 0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.31; (8)ACD/KOC (pH 7.4): 24.35; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 33.2 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 39.6 cm3; (15)Molar Volume: 115.3 cm3; (16)Polarizability: 15.69×10-24cm3; (17)Surface Tension: 51.6 dyne/cm; (18)Density: 1.267 g/cm3; (19)Flash Point: 190.8 °C; (20)Enthalpy of Vaporization: 64.15 kJ/mol; (21)Boiling Point: 391.8 °C at 760 mmHg; (22)Vapour Pressure: 2.4E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2/C=C\c1c(nccc1)N2
(2)InChI: InChI=1/C8H6N2O/c11-7-4-3-6-2-1-5-9-8(6)10-7/h1-5H,(H,9,10,11)
(3)InChIKey: ZFRUGZMCGCYBRC-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H6N2O/c11-7-4-3-6-2-1-5-9-8(6)10-7/h1-5H,(H,9,10,11)
(5)Std. InChIKey: ZFRUGZMCGCYBRC-UHFFFAOYSA-N

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