Isocytosine

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Properties Simple | Detailed

Formula C4H5N3O
IUPAC Name 2-aminopyrimidin-4-one
Molecular Mass 111.102 g·mol−1
Heat of Formation -71.1 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 124.24 Å 3
Surface Area 136.17 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-3h-pyrimidin-4-one
  • 2-amino-4-hydroxypyrimidine
  • 2-amino-4-oxypyrimidine
  • 2-amino-4-pyrimdinol
  • 2-amino-4-pyrimidol
  • 2-amino-4-pyrimidone
  • 2-aminopyrimidin-4(3h)-one
  • 2-aminouracil
  • 4(1h)-pyrimidinone, 2-amino-
  • 4(1h)-pyrimidinone, 2-amino- (9ci)
  • 4(3h)-pyrimidinone, 2-amino-
  • 4-pyrimidinol, 2-amino-
  • ac-907/25004299
  • isocytosine (van)
CAS Number(s)
  • 108-53-2
InChIKey XQCZBXHVTFVIFE-UHFFFAOYSA-N
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