Methyl (3aS,4S,5R,7aR)-5-hydroxy-7a-methyl-1-methyleneoctahydro-1H-indene-4-carboxylate
[CAS# 820245-29-2]

Identification

• Name: Methyl (3aS,4S,5R,7aR)-5-hydroxy-7a-methyl-1-methyleneoctahydro-1H-indene-4-carboxylate
• Synonyms: (3aS,4S,5R,7aR)-methyl 5-hydroxy-7a-methyl-1-methyleneoctahydro-1H-indene-4-carboxylate
• Molecular Formula: C₁₃H₂₀O₃
• Molecular Weight: 224.30
• CAS Registry Number: 820245-29-2
• SMILES: O=C(OC)[C@@H]1[C@H](O)CC[C@]2(/C(=C)CC[C@@H]12)C
• InChI: 1S/C13H20O3/c1-8-4-5-9-11(12(15)16-3)10(14)6-7-13(8,9)2/h9-11,14H,1,4-7H2,2-3H3/t9-,10+,11-,13-/m0/s1
• InChIKey: YMQLEVMYLYVFKJ-NOHGZBONSA-N

Properties

• Density: 1.1g/cm³ (Cal.)
• Boiling point: 306.488°C at 760 mmHg (Cal.)
• Flash point: 121.073°C (Cal.)
• Refractive index: 1.51 (Cal.)