(2-Acetyl-1,2-Dihydroisoquinolin-1-Yl)Acetic Acid
[CAS# 58246-00-7]

Identification

• Name: (2-Acetyl-1,2-Dihydroisoquinolin-1-Yl)Acetic Acid
• Synonyms: 2-[(1R)-2-Ethanoyl-1H-Isoquinolin-1-Yl]Ethanoate; Zinc00332850
• Molecular Formula: C₁₃H₁₂NO₃
• Molecular Weight: 230.24
• CAS Registry Number: 58246-00-7
• SMILES: [C@@H]1(N(C=CC2=C1C=CC=C2)C(=O)C)CC([O-])=O
• InChI: 1S/C13H13NO3/c1-9(15)14-7-6-10-4-2-3-5-11(10)12(14)8-13(16)17/h2-7,12H,8H2,1H3,(H,16,17)/p-1/t12-/m1/s1
• InChIKey: OVJMQMJXWCLLKF-GFCCVEGCSA-M

Properties

• Boiling point: 511.181°C at 760 mmHg (Cal.)
• Flash point: 262.953°C (Cal.)