Thymine-N(1)-2-propenal
[CAS# 85394-19-0]

Identification

• Name: Thymine-N(1)-2-propenal
• Synonyms: (E)-3-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Prop-2-Enal; (E)-3-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)Prop-2-Enal; (E)-3-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)Acrolein
• Molecular Formula: C₈H₈N₂O₃
• Molecular Weight: 180.16
• CAS Registry Number: 85394-19-0
• SMILES: CC1=CN(C(NC1=O)=O)\C=C\C=O
• InChI: 1S/C8H8N2O3/c1-6-5-10(3-2-4-11)8(13)9-7(6)12/h2-5H,1H3,(H,9,12,13)/b3-2+
• InChIKey: CDPXAPVOBNKPPD-NSCUHMNNSA-N

Properties

• Density: 1.375g/cm³ (Cal.)