2-(1,3-Dioxo-1,3,3a,4,7,7alpha-Hexahydro-Isoindol-2-Yl)-4-Methyl-Pentanoic Acid
[CAS# 69705-72-2]

Identification

• Name: 2-(1,3-Dioxo-1,3,3a,4,7,7alpha-Hexahydro-Isoindol-2-Yl)-4-Methyl-Pentanoic Acid
• Synonyms: (2S)-2-[(3Ar,7As)-1,3-Dioxo-3A,4,7,7A-Tetrahydroisoindol-2-Yl]-4-Methyl-Pentanoate; (2S)-2-[(3Ar,7As)-1,3-Diketo-3A,4,7,7A-Tetrahydroisoindol-2-Yl]-4-Methyl-Valerate; Zinc03884646
• Molecular Formula: C₁₄H₁₈NO₄
• Molecular Weight: 264.30
• CAS Registry Number: 69705-72-2
• SMILES: [C@H]12[C@H](C(=O)N(C1=O)[C@@H](CC(C)C)C([O-])=O)CC=CC2
• InChI: 1S/C14H19NO4/c1-8(2)7-11(14(18)19)15-12(16)9-5-3-4-6-10(9)13(15)17/h3-4,8-11H,5-7H2,1-2H3,(H,18,19)/p-1/t9-,10+,11-/m0/s1
• InChIKey: WOYPYWBRVFMWEQ-AXFHLTTASA-M

Properties

• Boiling point: 479.282°C at 760 mmHg (Cal.)
• Flash point: 243.661°C (Cal.)