Gentianal
[CAS# 53848-05-8]

Identification

• Name: Gentianal
• Synonyms: 1-Methyl-6-Oxo-1,3,4,7-Tetrahydropyrano[4,3-D]Pyridine-5-Carboxaldehyde; 6-Keto-1-Methyl-1,3,4,7-Tetrahydropyrano[4,3-D]Pyridine-5-Carbaldehyde; 1H-Pyrano(3,4-C)Pyridine-5-Carboxaldehyde, 3,4,6,7-Tetrahydro-1-Methyl-6-Oxo-
• Molecular Formula: C₁₀H₁₁NO₃
• Molecular Weight: 193.20
• CAS Registry Number: 53848-05-8
• SMILES: CC1OCCC2=C(C(=O)NC=C12)C=O
• InChI: 1S/C10H11NO3/c1-6-8-4-11-10(13)9(5-12)7(8)2-3-14-6/h4-6H,2-3H2,1H3,(H,11,13)
• InChIKey: SPQNWNGKRKIZFD-UHFFFAOYSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 527.82°C at 760 mmHg (Cal.)
• Flash point: 273.016°C (Cal.)