(2E)-7-Cyano-2-Heptene-4,6-Diynoic Acid
[CAS# 3625-68-1]

Identification

• Name: (2E)-7-Cyano-2-Heptene-4,6-Diynoic Acid
• Synonyms: 2-Heptene-4,6-diynoic acid, 7-cyano-, (E)-; 4-02-00-02346 (Beilstein Handbook Reference)
• Molecular Formula: C₈H₃NO₂
• Molecular Weight: 145.12
• CAS Registry Number: 3625-68-1
• SMILES: N#CC#CC#C\C=C\C(=O)O
• InChI: 1S/C8H3NO2/c9-7-5-3-1-2-4-6-8(10)11/h4,6H,(H,10,11)/b6-4+
• InChIKey: DMGKNZBGIHCAMP-GQCTYLIASA-N

Properties

• Density: 1.333g/cm³ (Cal.)
• Boiling point: 301.474°C at 760 mmHg (Cal.)
• Flash point: 136.127°C (Cal.)