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4(3H)-Quinazolinone,3-hydroxy-2-methyl-

  • Name 4(3H)-Quinazolinone,3-hydroxy-2-methyl-
  • EINECSN/A
  • CAS No. 1010-70-4
  • Density1.35 g/cm3
  • PSAN/A
  • LogPN/A
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC9H8N2O2
  • Boiling Point364.6 °C at 760 mmHg
  • Molecular Weight176.175
  • Flash Point174.3 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 1010-70-4 (3-hydroxy-2-methylquinazolin-4(3H)-one)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data14

4(3H)-Quinazolinone,3-hydroxy-2-methyl- Specification

The 4(3H)-Quinazolinone,3-hydroxy-2-methyl-, with the CAS registry number 1010-70-4, is also known as 3-Hydroxy-2-methylquinazolin-4(3H)-one. This chemical's molecular formula is C9H8N2O2 and molecular weight is 176.172. What's more, its IUPAC name is called 3-Hydroxy-2-methylquinazolin-4-one.

Physical properties about 4(3H)-Quinazolinone,3-hydroxy-2-methyl- are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 41.9 Å2; (7)Index of Refraction: 1.653; (8)Molar Refractivity: 47.44 cm3; (9)Molar Volume: 129.5 cm3; (10)Surface Tension: 53.1 dyne/cm; (11)Density: 1.35 g/cm3; (12)Flash Point: 174.3 °C; (13)Enthalpy of Vaporization: 64.44 kJ/mol; (14)Boiling Point: 364.6 °C at 760 mmHg; (15)Vapour Pressure: 5.91E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1c2c(\N=C(/N1O)C)cccc2
(2) InChI: InChI=1/C9H8N2O2/c1-6-10-8-5-3-2-4-7(8)9(12)11(6)13/h2-5,13H,1H3
(3) InChIKey: SVWRTXYWBOQPGD-UHFFFAOYAG

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