(3S,4E)-5-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylene-4-pentenenitrile
[CAS# 794527-76-7]

Identification

• Name: (3S,4E)-5-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-methylene-4-pentenenitrile
• Synonyms: (S,E)-5-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylenepent-4-enenitrile
• Molecular Formula: C₁₁H₁₅NO₃
• Molecular Weight: 209.24
• CAS Registry Number: 794527-76-7
• SMILES: CC1(OC[C@@H](O1)/C=C/[C@@H](C(=C)C#N)O)C
• InChI: 1S/C11H15NO3/c1-8(6-12)10(13)5-4-9-7-14-11(2,3)15-9/h4-5,9-10,13H,1,7H2,2-3H3/b5-4+/t9-,10-/m0/s1
• InChIKey: RUVFLXOEQAUCML-AWAZDUCLSA-N

Properties

• Density: 1.157g/cm³ (Cal.)
• Boiling point: 372.78°C at 760 mmHg (Cal.)
• Flash point: 179.251°C (Cal.)
• Refractive index: 1.543 (Cal.)