4-Amino-4-Deoxychorismate
[CAS# 97279-79-3]

Identification

• Name: 4-Amino-4-Deoxychorismate
• Synonyms: 4-Amino-3-(1-Carboxyethenoxy)Cyclohexa-1,5-Diene-1-Carboxylic Acid; 4-Amino-3-(1-Carboxyethenoxy)-1-Cyclohexa-1,5-Dienecarboxylic Acid; 4-Amino-3-(3-Hydroxy-3-Oxo-Prop-1-En-2-Yl)Oxy-Cyclohexa-1,5-Diene-1-Carboxylic Acid
• Molecular Formula: C₁₀H₁₁NO₅
• Molecular Weight: 225.20
• CAS Registry Number: 97279-79-3
• SMILES: O=C(O)C1=CC(OC(C(O)=O)=C)C(N)C=C1
• InChI: 1S/C10H11NO5/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8H,1,11H2,(H,12,13)(H,14,15)
• InChIKey: OIUJHGOLFKDBSU-UHFFFAOYSA-N

Properties

• Density: 1.43g/cm³ (Cal.)
• Boiling point: 511.075°C at 760 mmHg (Cal.)
• Flash point: 262.889°C (Cal.)