Trigonelline

• Catalog Number: ACM535831
• Product Name: Trigonelline
• CAS: 535-83-1
• Category: Heterocyclic Organic Compound
• Synonyms: Caffearine
• Molecular Weight: 137.14
• Molecular Formula: C₇H₇NO₂
• InChI: InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3
• InChI Key: WWNNZCOKKKDOPX-UHFFFAOYSA-N
• Melting Point: 260 °C
• Complexity: 130
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 137.047678466
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 0
• Monoisotopic Mass: 137.047678466
• Physical State: Powder
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 44 Ų