(1R,3R)-rel-3-Methyl-Cyclopentanecarboxylic Acid
[CAS# 6240-44-4]

Identification

• Name: (1R,3R)-rel-3-Methyl-Cyclopentanecarboxylic Acid
• Molecular Formula: C₂₅H₂₃N₃O₃S₂
• Molecular Weight: 477.60
• CAS Registry Number: 6240-44-4
• SMILES: C1=CC(=CC=C1C)C2CC(=NN2C(=O)C[S](=O)(=O)C3=C[N](C4=C3C=CC=C4)C)C5=CC=CS5
• InChI: 1S/C25H23N3O3S2/c1-17-9-11-18(12-10-17)22-14-20(23-8-5-13-32-23)26-28(22)25(29)16-33(30,31)24-15-27(2)21-7-4-3-6-19(21)24/h3-13,15,22H,14,16H2,1-2H3
• InChIKey: PRLYTSOFDRPFID-UHFFFAOYSA-N

Properties

• Density: 1.37g/cm³ (Cal.)
• Boiling point: 715.816°C at 760 mmHg (Cal.)
• Flash point: 386.712°C (Cal.)