4-[2-(7-Methoxy-4,4-dimethyl-1,3-dioxo-isoquinolin-2-yl)ethyl]benzoic acid
[CAS# 103625-42-9]

Identification

• Name: 4-[2-(7-Methoxy-4,4-dimethyl-1,3-dioxo-isoquinolin-2-yl)ethyl]benzoic acid
• Synonyms: 4-[2-(7-Methoxy-4,4-Dimethyl-1,3-Dioxo-2-Isoquinolyl)Ethyl]Benzoic Acid; 4-[2-(1,3-Diketo-7-Methoxy-4,4-Dimethyl-2-Isoquinolyl)Ethyl]Benzoic Acid; 4-[2-(7-Methoxy-4,4-Dimethyl-1,3-Dioxo-Isoquinolin-2-Yl)Ethyl]Benzoic Acid
• Molecular Formula: C₂₁H₂₁NO₅
• Molecular Weight: 367.40
• CAS Registry Number: 103625-42-9
• SMILES: C2=C1C(C(=O)N(C(=O)C1=CC(=C2)OC)CCC3=CC=C(C=C3)C(=O)O)(C)C
• InChI: 1S/C21H21NO5/c1-21(2)17-9-8-15(27-3)12-16(17)18(23)22(20(21)26)11-10-13-4-6-14(7-5-13)19(24)25/h4-9,12H,10-11H2,1-3H3,(H,24,25)
• InChIKey: DLRFBVBVVYGSDO-UHFFFAOYSA-N

Properties

• Density: 1.252g/cm³ (Cal.)
• Boiling point: 604.779°C at 760 mmHg (Cal.)
• Flash point: 319.559°C (Cal.)