(1S,3S)-3-Acetyl-2,2-Dimethylcyclobutanecarboxylic Acid
[CAS# 279240-50-5]

Identification

• Name: (1S,3S)-3-Acetyl-2,2-Dimethylcyclobutanecarboxylic Acid
• Synonyms: (1S,3S)-3-acetyl-2,2-dimethylcyclobutanecarboxylic acid
• Molecular Formula: C₉H₁₄O₃
• Molecular Weight: 170.21
• CAS Registry Number: 279240-50-5
• SMILES: O=C(O)[C@H]1C[C@H](C(C)=O)C1(C)C
• InChI: 1S/C9H14O3/c1-5(10)6-4-7(8(11)12)9(6,2)3/h6-7H,4H2,1-3H3,(H,11,12)/t6-,7-/m1/s1
• InChIKey: VZUKBNZKASVATD-RNFRBKRXSA-N

Properties

• Density: 1.113g/cm³ (Cal.)
• Boiling point: 282.961°C at 760 mmHg (Cal.)
• Flash point: 139.17°C (Cal.)
• Refractive index: 1.475 (Cal.)

References

• (1): A. Barcon, A. P. J. Brunskill, H. W. Thompson and R. A. Lalancette. (+)-trans-Pinononic acid: hydrogen-bonding patterns in a non-racemic [delta]-keto acid, Acta Cryst. (1999). C55, 1899-1902