(3S)-3-Azaniumyl-3-[(4-methyl-2-oxo-chromen-7-yl)carbamoyl]propanoate
[CAS# 336616-48-9]

Identification

• Name: (3S)-3-Azaniumyl-3-[(4-methyl-2-oxo-chromen-7-yl)carbamoyl]propanoate
• Synonyms: (3S)-3-Azaniumyl-4-[(4-Methyl-2-Oxo-Chromen-7-Yl)Amino]-4-Oxo-Butanoate; (3S)-3-Ammonio-4-[(4-Methyl-2-Oxo-7-Chromenyl)Amino]-4-Oxobutanoate; (3S)-3-Ammonio-4-Keto-4-[(2-Keto-4-Methyl-Chromen-7-Yl)Amino]Butyrate
• Molecular Formula: C₁₄H₁₄N₂O₅
• Molecular Weight: 290.28
• CAS Registry Number: 336616-48-9
• SMILES: [C@@H]([NH3+])(C(=O)NC2=CC1=C(C(=CC(O1)=O)C)C=C2)CC([O-])=O
• InChI: 1S/C14H14N2O5/c1-7-4-13(19)21-11-5-8(2-3-9(7)11)16-14(20)10(15)6-12(17)18/h2-5,10H,6,15H2,1H3,(H,16,20)(H,17,18)/t10-/m0/s1
• InChIKey: AAGPGZSFBVEQMU-JTQLQIEISA-N

Properties

• Density: 1.452g/cm³ (Cal.)
• Boiling point: 604.78°C at 760 mmHg (Cal.)
• Flash point: 319.56°C (Cal.)