Necic Acid
[CAS# 13588-16-4]

Identification

• Name: Necic Acid
• Synonyms: (2R,3R,5Z)-5-Ethylidene-2-Hydroxy-2,3-Dimethyl-Hexanedioic Acid; (2R,3R,5Z)-5-Ethylidene-2-Hydroxy-2,3-Dimethyl-Adipic Acid; Hexanedioic Acid, 5-Ethylidene-2-Hydroxy-2,3-Dimethyl-, (R-(R*,R*-(Z)))-
• Molecular Formula: C₁₀H₁₆O₅
• Molecular Weight: 216.23
• CAS Registry Number: 13588-16-4
• SMILES: [C@]([C@@H](C/C(C(=O)O)=C/C)C)(C(=O)O)(O)C
• InChI: 1S/C10H16O5/c1-4-7(8(11)12)5-6(2)10(3,15)9(13)14/h4,6,15H,5H2,1-3H3,(H,11,12)(H,13,14)/b7-4-/t6-,10-/m1/s1
• InChIKey: CEYWPVCZMDVGLZ-BEPFRFAYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 466.7±45.0°C at 760 mmHg (Cal.)
• Flash point: 250.2±25.2°C (Cal.)