(2E)-3-(2,4-Dihydroxy-6-Methylpyrimidin-5-Yl)Acrylic Acid

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Properties Simple | Detailed

Formula C8H8N2O4
IUPAC Name (e)-3-(6-methyl-2,4-dioxo-1h-pyrimidin-5-yl)prop-2-enoic acid
Molecular Mass 196.160 g·mol−1
Heat of Formation -665.5 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 216.85 Å 3
Surface Area 213.8 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(2,4-diketo-6-methyl-1h-pyrimidin-5-yl)acrylic acid
  • (e)-3-(4-methyl-2,6-dioxo-3h-pyrimidin-5-yl)prop-2-enoic acid
  • 2-propenoic acid, 3-(1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-, (e)-
  • 3-(2,4-diketo-6-methyl-1h-pyrimidin-5-yl)acrylic acid
  • 3-(2,4-dioxo-6-methyl-5-pyrimidinyl)acrylic acid
  • 3-(4-methyl-2,6-dioxo-3h-pyrimidin-5-yl)prop-2-enoic acid
  • 3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-acrylic acid
  • bas 02592727
  • chemdiv3_002759
  • uca-1,2,3,4-tetrahydro
CAS Number(s)
  • 28277-67-0
InChIKey MBCTXMUNGXCIBB-NSCUHMNNSA-N
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