(9E,12Z)-10-Nitro-9,12-octadecadienoic acid
[CAS# 774603-04-2]

Identification

• Name: (9E,12Z)-10-Nitro-9,12-octadecadienoic acid
• Synonyms: (9Z,12Z)-10-Nitrooctadeca-9,12-dienoic acid; 10-nitro,9Z,12Z-octadecadienoic acid; 10-Nitro-9Z,12Z-octadecadienoate
• Molecular Formula: C₁₈H₃₁NO₄
• Molecular Weight: 325.44
• CAS Registry Number: 774603-04-2
• SMILES: [O-][N+](=O)/C(=C/CCCCCCCC(=O)O)C\C=C/CCCCC
• InChI: 1S/C18H31NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h8,11,15H,2-7,9-10,12-14,16H2,1H3,(H,20,21)/b11-8-,17-15+
• InChIKey: LELVHAQTWXTCLY-XYWKCAQWSA-N

Properties

• Density: 1.017g/cm³ (Cal.)
• Boiling point: 452.231°C at 760 mmHg (Cal.)
• Flash point: 173.929°C (Cal.)
• Refractive index: 1.493 (Cal.)