Methyl (3aR,6aS)-4-methyl-3-oxo-2,3,6,6a-tetrahydro-3a(1H)-pentalenecarboxylate
[CAS# 811784-61-9]

Identification

• Name: Methyl (3aR,6aS)-4-methyl-3-oxo-2,3,6,6a-tetrahydro-3a(1H)-pentalenecarboxylate
• Synonyms: (3aR,6aS)-methyl 4-methyl-3-oxo-1,2,3,3a,6,6a-hexahydropentalene-3a-carboxylate
• Molecular Formula: C₁₁H₁₄O₃
• Molecular Weight: 194.23
• CAS Registry Number: 811784-61-9
• SMILES: CC1=CC[C@H]2[C@@]1(C(=O)CC2)C(=O)OC
• InChI: 1S/C11H14O3/c1-7-3-4-8-5-6-9(12)11(7,8)10(13)14-2/h3,8H,4-6H2,1-2H3/t8-,11+/m1/s1
• InChIKey: CXSIZQHDNMMBKH-KCJUWKMLSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 275.9±33.0°C at 760 mmHg (Cal.)
• Flash point: 117.6±25.4°C (Cal.)
• Refractive index: 1.528 (Cal.)