2-Amino-3-(3,4-Dioxo-1-Cyclohexa-1,5-Dienyl)-Propanoic Acid
[CAS# 4430-97-1]

Identification

• Name: 2-Amino-3-(3,4-Dioxo-1-Cyclohexa-1,5-Dienyl)-Propanoic Acid
• Synonyms: (2S)-2-Amino-3-(3,4-Diketo-1-Cyclohexa-1,5-Dienyl)Propionic Acid; (S)-2-Amino-3-(3,4-Dioxocyclohexa-1,5-Dien-1-Yl)Propanoate; 3-(3,4-Dioxocyclohexa-1,5-Dien-1-Yl)-L-Alanine
• Molecular Formula: C₉H₉NO₄
• Molecular Weight: 195.17
• CAS Registry Number: 4430-97-1
• SMILES: [C@H](N)(CC1=CC(=O)C(=O)C=C1)C(=O)O
• InChI: 1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)/t6-/m0/s1
• InChIKey: AHMIDUVKSGCHAU-LURJTMIESA-N

Properties

• Density: 1.427g/cm³ (Cal.)
• Boiling point: 419.533°C at 760 mmHg (Cal.)
• Flash point: 207.526°C (Cal.)