2-[(5R,8S,8aR)-8-Methyl-2-Oxo-4,5,6,7,8,8a-Hexahydro-1H-Azulen-5-Yl]Prop-2-Enoic Acid
[CAS# 139953-21-2]

Identification

• Name: 2-[(5R,8S,8aR)-8-Methyl-2-Oxo-4,5,6,7,8,8a-Hexahydro-1H-Azulen-5-Yl]Prop-2-Enoic Acid
• Synonyms: 2-[(5R,8S,8Ar)-2-Keto-8-Methyl-4,5,6,7,8,8A-Hexahydro-1H-Azulen-5-Yl]Acrylic Acid; 5-Azuleneacetic Acid, 1,2,4,5,6,7,8,8A-Octahydro-8-Methyl-Alpha-Methylene-2-Oxo-, (5R-(5Alpha,8Alpha,8Aalpha))-
• Molecular Formula: C₁₄H₁₈O₃
• Molecular Weight: 234.29
• CAS Registry Number: 139953-21-2
• SMILES: [C@@H]12C(=CC(=O)C1)C[C@@H](CC[C@@H]2C)C(C(=O)O)=C
• InChI: 1S/C14H18O3/c1-8-3-4-10(9(2)14(16)17)5-11-6-12(15)7-13(8)11/h6,8,10,13H,2-5,7H2,1H3,(H,16,17)/t8-,10+,13+/m0/s1
• InChIKey: DQHZYBAJZKMYQB-IYYTYJHQSA-N

Properties

• Density: 1.149g/cm³ (Cal.)
• Boiling point: 439.952°C at 760 mmHg (Cal.)
• Flash point: 234.01°C (Cal.)