Molecular Structure of 5-Acetyluracil (CAS No.6214-65-9):
Molecular Formula: C6H6N2O3
Molecular Weight: 154.1234
CAS No: 6214-65-9
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 57.69 Å2
Index of Refraction: 1.511
Molar Refractivity: 34.2 cm3
Molar Volume: 114 cm3
Surface Tension: 45.7 dyne/cm
Density: 1.351 g/cm3
Flash Point: 206.6 °C
Enthalpy of Vaporization: 69.75 kJ/mol
Boiling Point: 418 °C at 760 mmHg
Vapour Pressure: 1.4E-07 mmHg at 25°C
IUPAC Name: 5-Acetyl-1H-pyrimidine-2,4-dione
Product Categories: Pyrimidine series;Heterocyclic Compounds;Pyrimidines
InChI: InChI=1/C6H6N2O3/c1-3(9)4-2-7-6(11)8-5(4)10/h2H,1H3,(H2,7,8,10,11)
InChIKey: YNYDWEIQSDFDLK-UHFFFAOYAH
Std. InChI: InChI=1S/C6H6N2O3/c1-3(9)4-2-7-6(11)8-5(4)10/h2H,1H3,(H2,7,8,10,11)
Std. InChIKey: YNYDWEIQSDFDLK-UHFFFAOYSA-N
WGK Germany: 3
HazardClass: IRRITANT
5-Acetyluracil (CAS No.6214-65-9), its synonyms are 2,4(1H,3H)-Pyrimidinedione, 5-acetyl- ; 5-Acetylpyrimidine-2,4(1H,3H)-dione ; 5-Acetyl-1H-pyrimidine-2,4-dione ; 5-Acetyl-2,4(1H,3H)-pyrimidinedione .
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