Xanthobilirubic Acid
[CAS# 15770-19-1]

Identification

• Name: Xanthobilirubic Acid
• Synonyms: 3-[5-[(Z)-(3-Ethyl-4-Methyl-5-Oxo-Pyrrol-2-Ylidene)Methyl]-2,4-Dimethyl-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[5-[(Z)-(3-Ethyl-4-Methyl-5-Oxo-2-Pyrrolylidene)Methyl]-2,4-Dimethyl-1H-Pyrrol-3-Yl]Propanoic Acid; 3-[5-[(Z)-(3-Ethyl-5-Keto-4-Methyl-3-Pyrrolin-2-Ylidene)Methyl]-2,4-Dimethyl-1H-Pyrrol-3-Yl]Propionic Acid
• Molecular Formula: C₁₇H₂₂N₂O₃
• Molecular Weight: 302.37
• CAS Registry Number: 15770-19-1
• SMILES: C(C1=C([NH]C(=C1C)/C=C/2NC(=O)C(=C2CC)C)C)CC(=O)O
• InChI: 1S/C17H22N2O3/c1-5-12-10(3)17(22)19-15(12)8-14-9(2)13(11(4)18-14)6-7-16(20)21/h8,18H,5-7H2,1-4H3,(H,19,22)(H,20,21)/b15-8-
• InChIKey: NDNYWGGIUJBYPM-NVNXTCNLSA-N

Properties

• Density: 1.206g/cm³ (Cal.)
• Boiling point: 573.644°C at 760 mmHg (Cal.)
• Flash point: 300.729°C (Cal.)